HOMCOS(prot_sch_conbars.cgi):

		Contact Molecules for Homologous Proteins
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PID

QueryLength

Homolgous Sequence in PDB

UniProt Query

TITLE

3932393

4405

500

P0DTC1(R1A_SARS2)

RecName: Full=Replicase polyprotein 1a; Short=pp1a;AltName: Full=ORF1a polyprotein;Contains: RecName: Full=Host translation inhibitor nsp1; AltName: Full=Leader protein; AltName: Full=Non-structural protein 1; Short=nsp1;Contains: RecName: Full=Non-structural protein 2; Short=nsp2; AltName: Full=p65 homolog;Contains: RecName: Full=Papain-like protease nsp3 ; EC=3.4.19.12 ; EC=3.4.22.-; AltName: Full=Non-structural protein 3; Short=nsp3; AltName: Full=PL2-PRO; AltName: Full=Papain-like proteinase; Short=PL-PRO;Contains: RecName: Full=Non-structural protein 4; Short=nsp4;Contains: RecName: Full=3C-like proteinase nsp5; Short=3CL-PRO; Short=3CLp; EC=3.4.22.69; AltName: Full=Main protease; Short=Mpro ; AltName: Full=Non-structural protein 5; Short=nsp5; AltName: Full=SARS coronavirus main proteinase;Contains: RecName: Full=Non-structural protein 6; Short=nsp6;Contains: RecName: Full=Non-structural protein 7; Short=nsp7;Contains: RecName: Full=Non-structural protein 8; Short=nsp8;Contains: RecName: Full=RNA-capping enzyme subunit nsp9; AltName: Full=Non-structural protein 9; Short=nsp9; EC=2.7.7.50 ;Contains: RecName: Full=Non-structural protein 10; Short=nsp10; AltName: Full=Growth factor-like peptide; Short=GFL;Contains: RecName: Full=Non-structural protein 11; Short=nsp11;

QUERYSEQ

MESLVPGFNEKTHVQLSLPVLQVRDVLVRGFGDSVEEVLSEARQHLKDGTCGLVEVEKGVLPQLEQPYVFIKRSDARTAPHGHVMVELVAELEGIQYGRSGETLGVLVPHVGEIPVAYRKVLLRKNGNKGAGGHSYGADLKSFDLGDELG
TDPYEDFQENWNTKHSSGVTRELMRELNGGAYTRYVDNNFCGPDGYPLECIKDLLARAGKASCTLSEQLDFIDTKRGVYCCREHEHEIAWYTERSEKSYELQTPFEIKLAKKFDTFNGECPNFVFPLNSIIKTIQPRVEKKKLDGFMGRI
RSVYPVASPNECNQMCLSTLMKCDHCGETSWQTGDFVKATCEFCGTENLTKEGATTCGYLPQNAVVKIYCPACHNSEVGPEHSLAEYHNESGLKTILRKGGRTIAFGGCVFSYVGCHNKCAYWVPRASANIGCNHTGVVGEGSEGLNDNL
LEILQKEKVNINIVGDFKLNEEIAIILASFSASTSAFVETVKGLDYKAFKQIVESCGNFKVTKGKAKKGAWNIGEQKSILSPLYAFASEAARVVRSIFSRTLETAQNSVRVLQKAAITILDGISQYSLRLIDAMMFTSDLATNNLVVMAY
ITGGVVQLTSQWLTNIFGTVYEKLKPVLDWLEEKFKEGVEFLRDGWEIVKFISTCACEIVGGQIVTCAKEIKESVQTFFKLVNKFLALCADSIIIGGAKLKALNLGETFVTHSKGLYRKCVKSREETGLLMPLKAPKEIIFLEGETLPTE
VLTEEVVLKTGDLQPLEQPTSEAVEAPLVGTPVCINGLMLLEIKDTEKYCALAPNMMVTNNTFTLKGGAPTKVTFGDDTVIEVQGYKSVNITFELDERIDKVLNEKCSAYTVELGTEVNEFACVVADAVIKTLQPVSELLTPLGIDLDEW
SMATYYLFDESGEFKLASHMYCSFYPPDEDEEEGDCEEEEFEPSTQYEYGTEDDYQGKPLEFGATSAALQPEEEQEEDWLDDDSQQTVGQQDGSEDNQTTTIQTIVEVQPQLEMELTPVVQTIEVNSFSGYLKLTDNVYIKNADIVEEAK
KVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFLEMKSEKQVE
QKIAEIPKEEVKPFITESKPSVEQRKQDDKKIKACVEEVTTTLEETKFLTENLLLYIDINGNLHPDSATLVSDIDITFLKKDAPYIVGDVVQEGVLTAVVIPTKKAGGTTEMLAKALRKVPTDNYITTYPGQGLNGYTVEEAKTVLKKCK
SAFYILPSIISNEKQEILGTVSWNLREMLAHAEETRKLMPVCVETKAIVSTIQRKYKGIKIQEGVVDYGARFYFYTSKTTVASLINTLNDLNETLVTMPLGYVTHGLNLEEAARYMRSLKVPATVSVSSPDAVTAYNGYLTSSSKTPEEH
FIETISLAGSYKDWSYSGQSTQLGIEFLKRGDKSVYYTSNPTTFHLDGEVITFDNLKTLLSLREVRTIKVFTTVDNINLHTQVVDMSMTYGQQFGPTYLDGADVTKIKPHNSHEGKTFYVLPNDDTLRVEAFEYYHTTDPSFLGRYMSAL
NHTKKWKYPQVNGLTSIKWADNNCYLATALLTLQQIELKFNPPALQDAYYRARAGEAANFCALILAYCNKTVGELGDVRETMSYLFQHANLDSCKRVLNVVCKTCGQQQTTLKGVEAVMYMGTLSYEQFKKGVQIPCTCGKQATKYLVQQ
ESPFVMMSAPPAQYELKHGTFTCASEYTGNYQCGHYKHITSKETLYCIDGALLTKSSEYKGPITDVFYKENSYTTTIKPVTYKLDGVVCTEIDPKLDNYYKKDNSYFTEQPIDLVPNQPYPNASFDNFKFVCDNIKFADDLNQLTGYKKP
ASRELKVTFFPDLNGDVVAIDYKHYTPSFKKGAKLLHKPIVWHVNNATNKATYKPNTWCIRCLWSTKPVETSNSFDVLKSEDAQGMDNLACEDLKPVSEEVVENPTIQKDVLECNVKTTEVVGDIILKPANNSLKITEEVGHTDLMAAYV
DNSSLTIKKPNELSRVLGLKTLATHGLAAVNSVPWDTIANYAKPFLNKVVSTTTNIVTRCLNRVCTNYMPYFFTLLLQLCTFTRSTNSRIKASMPTTIAKNTVKSVGKFCLEASFNYLKSPNFSKLINIIIWFLLLSVCLGSLIYSTAAL
GVLMSNLGMPSYCTGYREGYLNSTNVTIATYCTGSIPCSVCLSGLDSLDTYPSLETIQITISSFKWDLTAFGLVAEWFLAYILFTRFFYVLGLAAIMQLFFSYFAVHFISNSWLMWLIINLVQMAPISAMVRMYIFFASFYYVWKSYVHV
VDGCNSSTCMMCYKRNRATRVECTTIVNGVRRSFYVYANGGKGFCKLHNWNCVNCDTFCAGSTFISDEVARDLSLQFKRPINPTDQSSYIVDSVTVKNGSIHLYFDKAGQKTYERHSLSHFVNLDNLRANNTKGSLPINVIVFDGKSKCE
ESSAKSASVYYSQLMCQPILLLDQALVSDVGDSAEVAVKMFDAYVNTFSSTFNVPMEKLKTLVATAEAELAKNVSLDNVLSTFISAARQGFVDSDVETKDVVECLKLSHQSDIEVTGDSCNNYMLTYNKVENMTPRDLGACIDCSARHIN
AQVAKSHNIALIWNVKDFMSLSEQLRKQIRSAAKKNNLPFKLTCATTRQVVNVVTTKIALKGGKIVNNWLKQLIKVTLVFLFVAAIFYLITPVHVMSKHTDFSSEIIGYKAIDGGVTRDIASTDTCFANKHADFDTWFSQRGGSYTNDKA
CPLIAAVITREVGFVVPGLPGTILRTTNGDFLHFLPRVFSAVGNICYTPSKLIEYTDFATSACVLAAECTIFKDASGKPVPYCYDTNVLEGSVAYESLRPDTRYVLMDGSIIQFPNTYLEGSVRVVTTFDSEYCRHGTCERSEAGVCVST
SGRWVLNNDYYRSLPGVFCGVDAVNLLTNMFTPLIQPIGALDISASIVAGGIVAIVVTCLAYYFMRFRRAFGEYSHVVAFNTLLFLMSFTVLCLTPVYSFLPGVYSVIYLYLTFYLTNDVSFLAHIQWMVMFTPLVPFWITIAYIICIST
KHFYWFFSNYLKRRVVFNGVSFSTFEEAALCTFLLNKEMYLKLRSDVLLPLTQYNRYLALYNKYKYFSGAMDTTSYREAACCHLAKALNDFSNSGSDVLYQPPQTSITSAVLQSGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVY
CPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVD
RQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQSAVKRTIKGTHHWLLLTILTSLLVLVQSTQW
SLFFFLYENAFLPFAMGIIAMSAFAMMFVKHKHAFLCLFLLPSLATVAYFNMVYMPASWVMRIMTWLDMVDTSLSGFKLKDCVMYASAVVLLILMTARTVYDDGARRVWTLMNVLTLVYKVYYGNALDQAISMWALIISVTSNYSGVVTT
VMFLARGIVFMCVEYCPIFFITGNTLQCIMLVYCFLGYFCTCYFGLFCLLNRYFRLTLGVYDYLVSTQEFRYMNSQGLLPPKNSIDAFKLNIKLLGVGGKPCIKVATVQSKMSDVKCTSVVLLSVLQQLRVESSSKLWAQCVQLHNDILL
AKDTTEAFEKMVSLLSVLLSMQGAVDINKLCEEMLDNRATLQAIASEFSSLPSYAAFATAQEAYEQAVANGDSEVVLKKLKKSLNVAKSEFDRDAAMQRKLEKMADQAMTQMYKQARSEDKRAKVTSAMQTMLFTMLRKLDNDALNNIIN
NARDGCVPLNIIPLTTAAKLMVVIPDYNTYKNTCDGTTFTYASALWEIQQVVDADSKIVQLSEISMDNSPNLAWPLIVTALRANSAVKLQNNELSPVALRQMSCAAGTTQTACTDDNALAYYNTTKGGRFVLALLSDLQDLKWARFPKSD
GTGTIYTELEPPCRFVTDTPKGPKVKYLYFIKGLNNLNRGMVLGSLAATVRLQAGNATEVPANSTVLSFCAFAVDAAKAYKDYLASGGQPITNCVKMLCTHTGTGQAITVTPEANMDQESFGGASCCLYCRCHIDHPNPKGFCDLKGKYV
QIPTTCANDPVGFTLKNTVCTVCGMWKGYGCSCDQLREPMLQSADAQSFLNGFAV

[BLAST file for PDB] (plain) (bar) (multiple alignment) [BLAST for UniProt: (plain) (bar) (multiple alignment) (PSSM file) ]

UniProt Feature Tables [P0DTC1(R1A_SARS2)]

4405
	region	name	description
	1-4405	CHAIN	/note="Replicase polyprotein 1a" /id="PRO_0000449634"
	1-180	CHAIN	/note="Host translation inhibitor nsp1" /id="PRO_0000449635"
	181-818	CHAIN	/note="Non-structural protein 2" /id="PRO_0000449636"
	819-2763	CHAIN	/note="Papain-like protease nsp3" /id="PRO_0000449637"
	2764-3263	CHAIN	/note="Non-structural protein 4" /id="PRO_0000449638"
	3264-3569	CHAIN	/note="3C-like proteinase nsp5" /id="PRO_0000449639"
	3570-3859	CHAIN	/note="Non-structural protein 6" /id="PRO_0000449640"
	3860-3942	CHAIN	/note="Non-structural protein 7" /id="PRO_0000449641"
	3943-4140	CHAIN	/note="Non-structural protein 8" /id="PRO_0000449642"
	4141-4253	CHAIN	/note="RNA-capping enzyme subunit nsp9" /id="PRO_0000449643"
	4254-4392	CHAIN	/note="Non-structural protein 10" /id="PRO_0000449644"
	4393-4405	CHAIN	/note="Non-structural protein 11" /id="PRO_0000449645"
	1-2225	TOPO_DOM	/note="Cytoplasmic"
	2226-2246	TRANSMEM	/note="Helical"
	2247-2317	TOPO_DOM	/note="Lumenal"
	2318-2338	TRANSMEM	/note="Helical"
	2339-2775	TOPO_DOM	/note="Cytoplasmic"
	2776-2796	TRANSMEM	/note="Helical"
	2797-3044	TOPO_DOM	/note="Lumenal"
	3045-3065	TRANSMEM	/note="Helical"
	3066-3099	TOPO_DOM	/note="Cytoplasmic"
	3100-3120	TRANSMEM	/note="Helical"
	3121-3127	TOPO_DOM	/note="Lumenal"
	3128-3148	TRANSMEM	/note="Helical"
	3149-3586	TOPO_DOM	/note="Cytoplasmic"
	3587-3607	TRANSMEM	/note="Helical"
	3608-3608	TOPO_DOM	/note="Lumenal"
	3609-3629	TRANSMEM	/note="Helical"
	3630-3634	TOPO_DOM	/note="Cytoplasmic"
	3635-3655	TRANSMEM	/note="Helical"
	3656-3673	TOPO_DOM	/note="Lumenal"
	3674-3694	TRANSMEM	/note="Helical"
	3695-3729	TOPO_DOM	/note="Cytoplasmic"
	3730-3750	TRANSMEM	/note="Helical"
	3751-3778	TOPO_DOM	/note="Lumenal"
	3779-3799	TRANSMEM	/note="Helical"
	3800-4405	TOPO_DOM	/note="Cytoplasmic"
	12-127	DOMAIN	/note="CoV Nsp1 globular"
	148-179	DOMAIN	/note="BetaCoV Nsp1 C-terminal"
	183-456	DOMAIN	/note="CoV Nsp2 N-terminal"
	458-688	DOMAIN	/note="CoV Nsp2 middle"
	690-818	DOMAIN	/note="CoV Nsp2 C-terminal"
	821-929	DOMAIN	/note="Ubiquitin-like 1"
	1025-1194	DOMAIN	/note="Macro 1"
	1231-1359	DOMAIN	/note="Macro 2"
	1367-1494	DOMAIN	/note="Macro 3"
	1496-1561	DOMAIN	/note="DPUP"
	1565-1620	DOMAIN	/note="Ubiquitin-like 2"
	1634-1898	DOMAIN	/note="Peptidase C16"
	1911-2021	DOMAIN	/note="Nucleic acid-binding"
	2046-2155	DOMAIN	/note="G2M"
	2247-2317	DOMAIN	/note="3Ecto"
	2395-2763	DOMAIN	/note="CoV Nsp3 Y"
	3165-3263	DOMAIN	/note="Nsp4C"
	3264-3569	DOMAIN	/note="Peptidase C30"
	3860-3942	DOMAIN	/note="RdRp Nsp7 cofactor"
	3943-4140	DOMAIN	/note="RdRp Nsp8 cofactor"
	4141-4253	DOMAIN	/note="Nsp9 ssRNA-binding"
	4254-4392	DOMAIN	/note="ExoN/MTase coactivator"
	1752-1789	ZN_FING	/note="C4-type"
	154-180	REGION	/note="Binding to 40s ribosome mRNA entry channel"
	200-236	REGION	/note="C2H2"
	323-344	REGION	/note="C4"
	370-416	REGION	/note="C2HC"
	926-999	REGION	/note="Disordered"
	2395-2485	REGION	/note="Y1"
	2399-2412	REGION	/note="ZF1"
	2445-2455	REGION	/note="ZF2"
	2486-2763	REGION	/note="CoV-Y"
	2486-2580	REGION	/note="Y2"
	2581-2662	REGION	/note="Y3"
	2663-2763	REGION	/note="Y4"
	927-947	COMPBIAS	/note="Acidic residues"
	984-999	COMPBIAS	/note="Polar residues"
	1674-1674	ACT_SITE	/note="For PL-PRO activity" ECO:0000269\|PubMed:32726803"
	1835-1835	ACT_SITE	/note="For PL-PRO activity"
	1849-1849	ACT_SITE	/note="For PL-PRO activity"
	3304-3304	ACT_SITE	/note="For 3CL-PRO activity" ECO:0000269\|PubMed:32198291"
	3408-3408	ACT_SITE	/note="For 3CL-PRO activity" ECO:0000269\|PubMed:32198291"
	200-200	BINDING	/ligand="Zn(2+)" /ligand_id="ChEBI:CHEBI:29105" /ligand_label="1"
	231-231	BINDING	/ligand="Zn(2+)" /ligand_id="ChEBI:CHEBI:29105" /ligand_label="1"
	234-234	BINDING	/ligand="Zn(2+)" /ligand_id="ChEBI:CHEBI:29105" /ligand_label="1"
	236-236	BINDING	/ligand="Zn(2+)" /ligand_id="ChEBI:CHEBI:29105" /ligand_label="1"
	323-323	BINDING	/ligand="Zn(2+)" /ligand_id="ChEBI:CHEBI:29105" /ligand_label="2"
	326-326	BINDING	/ligand="Zn(2+)" /ligand_id="ChEBI:CHEBI:29105" /ligand_label="2"
	341-341	BINDING	/ligand="Zn(2+)" /ligand_id="ChEBI:CHEBI:29105" /ligand_label="2"
	344-344	BINDING	/ligand="Zn(2+)" /ligand_id="ChEBI:CHEBI:29105" /ligand_label="2"
	370-370	BINDING	/ligand="Zn(2+)" /ligand_id="ChEBI:CHEBI:29105" /ligand_label="3"
	373-373	BINDING	/ligand="Zn(2+)" /ligand_id="ChEBI:CHEBI:29105" /ligand_label="3"
	382-382	BINDING	/ligand="Zn(2+)" /ligand_id="ChEBI:CHEBI:29105" /ligand_label="3"
	416-416	BINDING	/ligand="Zn(2+)" /ligand_id="ChEBI:CHEBI:29105" /ligand_label="3"
	1752-1752	BINDING	/ligand="Zn(2+)" /ligand_id="ChEBI:CHEBI:29105" /ligand_label="4"
	1755-1755	BINDING	/ligand="Zn(2+)" /ligand_id="ChEBI:CHEBI:29105" /ligand_label="4"
	1787-1787	BINDING	/ligand="Zn(2+)" /ligand_id="ChEBI:CHEBI:29105" /ligand_label="4"
	1789-1789	BINDING	/ligand="Zn(2+)" /ligand_id="ChEBI:CHEBI:29105" /ligand_label="4"
	2399-2399	BINDING	/ligand="Zn(2+)" /ligand_id="ChEBI:CHEBI:29105" /ligand_label="5"
	2404-2404	BINDING	/ligand="Zn(2+)" /ligand_id="ChEBI:CHEBI:29105" /ligand_label="5"
	2409-2409	BINDING	/ligand="Zn(2+)" /ligand_id="ChEBI:CHEBI:29105" /ligand_label="5"
	2412-2412	BINDING	/ligand="Zn(2+)" /ligand_id="ChEBI:CHEBI:29105" /ligand_label="5"
	2445-2445	BINDING	/ligand="Zn(2+)" /ligand_id="ChEBI:CHEBI:29105" /ligand_label="6"
	2448-2448	BINDING	/ligand="Zn(2+)" /ligand_id="ChEBI:CHEBI:29105" /ligand_label="6"
	2452-2452	BINDING	/ligand="Zn(2+)" /ligand_id="ChEBI:CHEBI:29105" /ligand_label="6"
	2455-2455	BINDING	/ligand="Zn(2+)" /ligand_id="ChEBI:CHEBI:29105" /ligand_label="6"
	4327-4327	BINDING	/ligand="Zn(2+)" /ligand_id="ChEBI:CHEBI:29105" /ligand_label="7"
	4330-4330	BINDING	/ligand="Zn(2+)" /ligand_id="ChEBI:CHEBI:29105" /ligand_label="7"
	4336-4336	BINDING	/ligand="Zn(2+)" /ligand_id="ChEBI:CHEBI:29105" /ligand_label="7"
	4343-4343	BINDING	/ligand="Zn(2+)" /ligand_id="ChEBI:CHEBI:29105" /ligand_label="7"
	4370-4370	BINDING	/ligand="Zn(2+)" /ligand_id="ChEBI:CHEBI:29105" /ligand_label="8"
	4373-4373	BINDING	/ligand="Zn(2+)" /ligand_id="ChEBI:CHEBI:29105" /ligand_label="8"
	4381-4381	BINDING	/ligand="Zn(2+)" /ligand_id="ChEBI:CHEBI:29105" /ligand_label="8"
	4383-4383	BINDING	/ligand="Zn(2+)" /ligand_id="ChEBI:CHEBI:29105" /ligand_label="8"
	1-4405	DISORDER	predicted by DISOPRED

MONOMER

4405

pdb_id a¹ identity[%]² description

8yax A 100.0 R1AB_SARS2 Papain-like protease nsp3

7msw A 100.0 R1AB_SARS2 Non-structural protein 2

8yb7 C 100.0 R1AB_SARS2 Non-structural protein 4

6xbi A 100.0 R1AB_SARS2 3C-like proteinase

1.a¹:asym_id for the homologue. 2.identity[%]²:sequence identity between the query and the homologue.

HETERO

4405 pdb_id contact mol homologue

a³ description a⁴ identity[%]⁵ Ncon⁶ description

6lu7[2] B N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-.. A 100.0
/100.0 22
/22 R1AB_SARS2 3C-like proteinase

6lu7[2] B N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-.. A 100.0
/100.0 1
/1 R1AB_SARS2 3C-like proteinase

6xa9[3] B ISG15_HUMAN ISG15 CTD-propargylamide[80 aa] A 100.0
/100.0 22
/22 R1AB_SARS2 Non-structural protein 3

6xbi[1] C inhibitor UAW248[5 aa] A 100.0
/100.0 20
/20 R1AB_SARS2 3C-like proteinase

6xch[4] B Leupeptin[4 aa] A 100.0
/100.0 13
/13 R1AB_SARS2 3C-like proteinase

7aeg[1] B N-[(benzyloxy)carbonyl]-L-valyl-N-[(1S)-1-(carboxy.. A 100.0
/100.0 19
/19 R1AB_SARS2 3C-like proteinase

7aku[2] B Calpeptin[3 aa] A 100.0
/100.0 13
/13 R1AB_SARS2 3C-like proteinase

7aku[2] B Calpeptin[3 aa] A 100.0
/100.0 1
/1 R1AB_SARS2 3C-like proteinase

8cx9[8] G RL40_HUMAN Ubiquitin variant UbV.CV2.1[75 aa] A 100.0
/100.0 12
/12 R1A_SARS2 Papain-like protease nsp3

8gvd[3] B 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE.. A 100.0
/100.0 12
/12 R1A_SARS2 3C-like proteinase nsp5

8iho[1] C covalent inhibitor[4 aa] A 100.0
/100.0 18
/18 R1A_SARS2 Papain-like protease nsp3

8iho[1] D covalent inhibitor[4 aa] A 100.0
/100.0 1
/1 R1A_SARS2 Papain-like protease nsp3

8s9z[2] B Mpro inhibitor[5 aa] A 100.0
/100.0 21
/21 R1AB_SARS2 3C-like proteinase nsp5

8yax[36] C R1AB_SARS2 Non-structural protein 4[371 aa] A 100.0
/100.0 21
/21 R1AB_SARS2 Papain-like protease nsp3

8yax[18] C R1AB_SARS2 Non-structural protein 4[371 aa] A 100.0
/100.0 1
/1 R1AB_SARS2 Papain-like protease nsp3

8yax[18] C R1AB_SARS2 Non-structural protein 4[371 aa] A 100.0
/100.0 3
/3 R1AB_SARS2 Papain-like protease nsp3

8yax[12] C R1AB_SARS2 Non-structural protein 4[371 aa] B 100.0
/100.0 1
/1 R1AB_SARS2 Papain-like protease nsp3

8yax[6] A R1AB_SARS2 Papain-like protease nsp3[1314 aa] C 100.0
/100.0 24
/24 R1AB_SARS2 Non-structural protein 4

8yax[6] A R1AB_SARS2 Papain-like protease nsp3[1314 aa] C 100.0
/100.0 3
/3 R1AB_SARS2 Non-structural protein 4

8yax[6] A R1AB_SARS2 Papain-like protease nsp3[1314 aa] C 100.0
/100.0 1
/1 R1AB_SARS2 Non-structural protein 4

8yax[6] B R1AB_SARS2 Papain-like protease nsp3[543 aa] C 100.0
/100.0 1
/1 R1AB_SARS2 Non-structural protein 4

8yax[6] B R1AB_SARS2 Papain-like protease nsp3[543 aa] D 100.0
/100.0 23
/23 R1AB_SARS2 Non-structural protein 4

8yb5[24] A R1AB_SARS2 Papain-like protease nsp3[353 aa] C 100.0
/100.0 23
/23 R1AB_SARS2 Non-structural protein 4

8yb5[15] A R1AB_SARS2 Papain-like protease nsp3[353 aa] C 100.0
/100.0 4
/4 R1AB_SARS2 Non-structural protein 4

8yb5[12] A R1AB_SARS2 Papain-like protease nsp3[353 aa] C 100.0
/100.0 2
/2 R1AB_SARS2 Non-structural protein 4

8yb7[3] A R1AB_SARS2 Papain-like protease nsp3[353 aa] H 100.0
/100.0 2
/2 R1AB_SARS2 Non-structural protein 4

7rbs[5] B ISG15_HUMAN Ubiquitin-like protein ISG15[157 aa] A 96.7
/99.7 30
/30 R1A_SARS2 Papain-like protease

6xaa[3] B J3QS39_HUMAN Ubiquitin-propargylamide[76 aa] A 100.0
/100.0 25
/25 R1AB_SARS2 Non-structural protein 3

7uv5[1] C UBB_HUMAN Ubiquitin[41 aa] A 100.0
/99.4 10
/10 R1A_SARS2 Papain-like protease nsp3

6wuu[5] E VIR250[5 aa] A 100.0
/99.7 18
/18 R1AB_SARS2 Non-structural protein 3

3.a³:asym_id for the contact molecule. 4.a⁴:asym_id for the template homologue. 5.identity[%]⁵:sequence identity between the query and the template homologue only for the contact residues. Number after the slash / is sequence identity for all the aligned region. 6.Ncon⁶:number of aligned contact residues for the query. Number after the slash / is number of contact residues in the template homologue.

COMPOUND

4405 pdb_id contact mol homologue

a³ description a⁴ identity[%]⁵ Ncon⁶ description

6m2n[4] E 3WL
5,6,7-trihydroxy-2-phenyl-4H-chromen-4-one[20 atom.. A 100.0
/100.0 13
/13 R1AB_SARS2 3C-like proteinase

6wnp[6] B U5G
boceprevir (bound form)[37 atoms] A 100.0
/100.0 19
/19 R1AB_SARS2 3C-like proteinase

6wtj[5] B K36
(1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino.. A 100.0
/100.0 13
/13 R1AB_SARS2 3C-like proteinase

6wtj[2] B K36
(1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino.. A 100.0
/100.0 1
/1 R1AB_SARS2 3C-like proteinase

6wtk[2] B UED
N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3.. A 100.0
/100.0 17
/17 R1AB_SARS2 3C-like proteinase

6xb2[2] B NEN
1-ETHYL-PYRROLIDINE-2,5-DIONE[9 atoms] A 100.0
/100.0 3
/3 R1AB_SARS2 3C-like proteinase

6xb2[2] C NEN
1-ETHYL-PYRROLIDINE-2,5-DIONE[9 atoms] A 100.0
/100.0 4
/4 R1AB_SARS2 3C-like proteinase

6xqs[4] B SV6
(1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyr.. A 100.0
/100.0 19
/19 R1AB_SARS2 3C-like proteinase

6xqt[4] C NNA
(1R,2S,5S)-3-[N-({1-[(tert-butylsulfonyl)methyl]cy.. A 100.0
/100.0 25
/25 R1AB_SARS2 3C-like proteinase

6ynq[2] B P6N
(2~{S})-2-methyl-3,4-dihydro-2~{H}-naphthalen-1-on.. A 100.0
/100.0 8
/8 R1AB_SARS2 3C-like proteinase

6ynq[2] B P6N
(2~{S})-2-methyl-3,4-dihydro-2~{H}-naphthalen-1-on.. A 100.0
/100.0 1
/1 R1AB_SARS2 3C-like proteinase

6yvf[2] B A82
2-[[(1R)-1-(7-methyl-2-morpholin-4-yl-4-oxidanylid.. A 100.0
/100.0 7
/7 R1AB_SARS2 3C-like proteinase

6z2e[2] B Q5T
(4~{S})-4-[[(2~{S})-2-[[(2~{S})-2-[[(2~{S})-2-[3-[.. A 100.0
/100.0 21
/21 R1AB_SARS2 3C-like proteinase

7a1u[2] B FUA
FUSIDIC ACID[37 atoms] A 100.0
/100.0 11
/11 R1AB_SARS2 3C-like proteinase

7abu[2] B R6Q
1'-[2-[4-(trifluoromethyl)phenyl]ethyl]spiro[1~{H}.. A 100.0
/100.0 4
/4 R1AB_SARS2 3C-like proteinase

7abu[2] B R6Q
1'-[2-[4-(trifluoromethyl)phenyl]ethyl]spiro[1~{H}.. A 100.0
/100.0 2
/2 R1AB_SARS2 3C-like proteinase

7aeh[2] F R8H
(2~{R})-5-oxidanylidene-~{N}-[(2~{R},3~{S})-3-oxid.. A 100.0
/100.0 12
/12 R1AB_SARS2 3C-like proteinase nsp5

7aga[2] B LZE
4-{[(2,6-dichlorophenyl)carbonyl]amino}-N-piperidi.. A 100.0
/100.0 11
/11 R1AB_SARS2 3C-like proteinase

7aha[2] J SIN
SUCCINIC ACID[8 atoms] A 100.0
/100.0 6
/6 R1AB_SARS2 3C-like proteinase

7ak4[2] B CB1
5-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDE[18 atoms] A 100.0
/100.0 11
/11 R1AB_SARS2 3C-like proteinase

7ans[2] F RNW
2-[(diphenylmethyl)-oxidanyl-$l^{3}-sulfanyl]-~{N}.. A 100.0
/100.0 13
/13 R1AB_SARS2 3C-like proteinase

7aph[2] B RT2
Tofogliflozin[28 atoms] A 100.0
/100.0 7
/7 R1AB_SARS2 3C-like proteinase

7aqe[2] E RV5
N-1,2,3-Benzothiadiazol-6-yl-N'-[2-oxo-2-(1-piperi.. A 100.0
/100.0 11
/11 R1AB_SARS2 3C-like proteinase

7au4[2] D RY5
(3~{S})-6-chloranyl-3'-(1,2-oxazol-3-ylmethyl)spir.. A 100.0
/100.0 16
/16 R1AB_SARS2 3C-like proteinase nsp5

7au4[2] D RY5
(3~{S})-6-chloranyl-3'-(1,2-oxazol-3-ylmethyl)spir.. A 100.0
/100.0 1
/1 R1AB_SARS2 3C-like proteinase nsp5

7avd[1] D S1W
3-[[5-[3-(dimethylamino)phenoxy]pyrimidin-2-yl]ami.. B 100.0
/100.0 9
/9 R1AB_SARS2 3C-like proteinase

7aww[2] B CLU
2,6-DICHLORO-N-IMIDAZOLIDIN-2-YLIDENEANILINE[14 at.. A 100.0
/100.0 5
/5 R1AB_SARS2 3C-like proteinase

7ax6[2] B S8H
(2~{S})-2-azanyl-5-oxidanylidene-5-[[(2~{S})-1-oxi.. A 100.0
/100.0 4
/4 R1AB_SARS2 3C-like proteinase

7axm[2] C 93J
(2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-3-cyano.. A 100.0
/100.0 8
/8 R1AB_SARS2 3C-like proteinase

7axm[2] C 93J
(2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-3-cyano.. A 100.0
/100.0 3
/3 R1AB_SARS2 3C-like proteinase

7axo[2] G QCP
AR-42[23 atoms] A 100.0
/100.0 9
/9 R1AB_SARS2 3C-like proteinase

7ay7[2] B S8T
9-fluoranyl-3-propan-2-yl-5,6-dihydrobenzo[b][1]be.. A 100.0
/100.0 14
/14 R1AB_SARS2 3C-like proteinase

7ay7[2] B S8T
9-fluoranyl-3-propan-2-yl-5,6-dihydrobenzo[b][1]be.. A 100.0
/100.0 1
/1 R1AB_SARS2 3C-like proteinase

7b5z[2] F SYH
2-(1H-benzo[d][1,2,3]triazol-1-yl)-1-(4-methylenep.. A 100.0
/100.0 14
/14 R1AB_SARS2 3C-like proteinase nsp5

7bij[2] E TU8
(3~{S})-3'-(5-fluoranylpyridin-3-yl)spiro[1,2-dihy.. A 100.0
/100.0 14
/14 R1AB_SARS2 3C-like proteinase nsp5

7bij[2] E TU8
(3~{S})-3'-(5-fluoranylpyridin-3-yl)spiro[1,2-dihy.. A 100.0
/100.0 1
/1 R1AB_SARS2 3C-like proteinase nsp5

7buy[2] B JRY
hexylcarbamic acid[9 atoms] A 100.0
/100.0 8
/8 R1AB_SARS2 3C-like proteinase

7cjm[3] B TTT
5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]be.. A 100.0
/99.7 10
/10 R1AB_SARS2 Non-structural protein 3

7jir[1] B TTT
5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]be.. A 100.0
/99.7 11
/11 R1A_SARS2 Papain-like protease

7cuu[5] D ALD
N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S)-1-hydroxy.. A 100.0
/100.0 19
/19 R1AB_SARS2 3C protein

7dgh[2] B H6F
~{N}-[(2~{S})-3-methyl-1-[[(2~{S})-4-methyl-1-oxid.. A 100.0
/100.0 23
/23 R1A_SARS2 3C-like proteinase

7dgh[2] B H6F
~{N}-[(2~{S})-3-methyl-1-[[(2~{S})-4-methyl-1-oxid.. A 100.0
/100.0 1
/1 R1A_SARS2 3C-like proteinase

7dgi[2] C H6L
~{N}-[(2~{S})-3-methyl-1-[[(2~{S})-4-methyl-1-oxid.. A 100.0
/100.0 20
/20 R1A_SARS2 3C-like proteinase

7dgi[1] D H6L
~{N}-[(2~{S})-3-methyl-1-[[(2~{S})-4-methyl-1-oxid.. A 100.0
/100.0 1
/1 R1A_SARS2 3C-like proteinase

7dpu[1] D HER
7-methoxy-3,5-bis(oxidanyl)-2-[3,4,5-tris(oxidanyl.. B 100.0
/100.0 16
/16 R1A_SARS2 3C-like proteinase

7en8[1] C J7R
~{N}-[(1~{S},2~{R})-2-[[4-bromanyl-2-(methylcarbam.. A 100.0
/100.0 17
/17 R1A_SARS2 3C-like proteinase

7en8[1] D J7R
~{N}-[(1~{S},2~{R})-2-[[4-bromanyl-2-(methylcarbam.. A 100.0
/100.0 1
/1 R1A_SARS2 3C-like proteinase

7en9[2] B J7O
5-bromanyl-~{N}-methyl-3-nitro-2-[(4~{R},5~{S})-2-.. A 100.0
/100.0 17
/17 R1A_SARS2 3C-like proteinase

7gav[2] I KFU
(3S)-5-chloro-N-(isoquinolin-4-yl)-2,3-dihydro-1-b.. A 100.0
/100.0 12
/12 R1AB_SARS2 3C-like proteinase

7gaw[2] H KG9
(4S)-6-chloro-2-[(1-cyanocyclopropyl)methanesulfon.. A 100.0
/100.0 15
/15 R1AB_SARS2 3C-like proteinase

7ghm[1] N Q99
N-[2-(3-chloro-5-{[(2S)-4-oxoazetidin-2-yl]oxy}phe.. B 100.0
/100.0 20
/20 R1AB_SARS2 3C-like proteinase

7ghn[1] N QBR
N-(4-tert-butylphenyl)-N-[(1R)-2-{[2-(3-fluorophen.. B 100.0
/100.0 20
/20 R1AB_SARS2 3C-like proteinase

7gho[1] J QC3
(3S)-3-(3-chlorophenyl)-1-(isoquinolin-4-yl)pyrrol.. B 100.0
/100.0 14
/14 R1AB_SARS2 3C-like proteinase

7ghp[1] M OYF
(4R)-6-chloro-N-(2,7-naphthyridin-4-yl)-3,4-dihydr.. B 100.0
/100.0 14
/14 R1AB_SARS2 3C-like proteinase

7ghq[2] E OYX
N-(2-cyclohexylethyl)-2-(isoquinolin-4-yl)-N-[(thi.. A 100.0
/100.0 17
/17 R1AB_SARS2 3C-like proteinase

7ghr[1] E OZC
(3S)-3-(4-chlorophenyl)-1-(isoquinolin-4-yl)piperi.. B 100.0
/100.0 1
/1 R1AB_SARS2 3C-like proteinase

7ghr[1] M OZC
(3S)-3-(4-chlorophenyl)-1-(isoquinolin-4-yl)piperi.. B 100.0
/100.0 15
/15 R1AB_SARS2 3C-like proteinase

7ght[1] L OWC
(3S)-3-(3-chlorophenyl)-1-(isoquinolin-4-yl)piperi.. B 100.0
/100.0 14
/14 R1AB_SARS2 3C-like proteinase

7ghu[1] K P4R
(1'M,4S)-6-chloro-1'-(isoquinolin-4-yl)-2,3-dihydr.. B 100.0
/100.0 14
/14 R1AB_SARS2 3C-like proteinase

7ghv[1] L OZX
2-(6-chloropyridin-2-yl)-N-(isoquinolin-4-yl)aceta.. B 100.0
/100.0 13
/13 R1AB_SARS2 3C-like proteinase

7ghy[1] O P9O
(4R)-6-chloro-N-(5,6,7,8-tetrahydro-2,6-naphthyrid.. B 100.0
/100.0 14
/14 R1AB_SARS2 3C-like proteinase

7ghz[2] E PJX
(4R)-6-chloro-N-(isoquinolin-4-yl)-1-methyl-1,2,3,.. A 100.0
/100.0 14
/14 R1AB_SARS2 3C-like proteinase

7gi3[1] X Q0I
(4R)-6-chloro-N-(isoquinolin-4-yl)-N-propanoyl-3,4.. B 100.0
/100.0 15
/15 R1AB_SARS2 3C-like proteinase

7gi6[2] D QD4
(4R)-6-chloro-N~4~-(isoquinolin-4-yl)-3,4-dihydroq.. A 100.0
/100.0 14
/14 R1AB_SARS2 3C-like proteinase

7gi7[1] E QD9
N-[(3-chlorophenyl)methyl]-N-[5-(dimethylamino)pyr.. A 100.0
/100.0 18
/18 R1AB_SARS2 3C-like proteinase

7gi9[2] F QDU
2-(2,5-difluorophenyl)-N-(isoquinolin-4-yl)acetami.. A 100.0
/100.0 14
/14 R1AB_SARS2 3C-like proteinase

7gic[2] F QEX
N-(isoquinolin-4-yl)-2-(3-methylphenyl)acetamide[2.. A 100.0
/100.0 13
/13 R1AB_SARS2 3C-like proteinase

7gic[1] F QEX
N-(isoquinolin-4-yl)-2-(3-methylphenyl)acetamide[2.. B 100.0
/100.0 1
/1 R1AB_SARS2 3C-like proteinase

7gid[2] F QF5
N-(isoquinolin-4-yl)-2-phenylacetamide[20 atoms] A 100.0
/100.0 13
/13 R1AB_SARS2 3C-like proteinase

7gif[1] L QFL
2-(4-fluorophenyl)-N-(isoquinolin-4-yl)acetamide[2.. B 100.0
/100.0 14
/14 R1AB_SARS2 3C-like proteinase

7gig[1] F QFU
2-(3-cyanophenyl)-N-(isoquinolin-4-yl)acetamide[22.. B 100.0
/100.0 1
/1 R1AB_SARS2 3C-like proteinase

7gih[1] F QG3
2-(3,5-difluorophenyl)-N-(isoquinolin-4-yl)acetami.. A 100.0
/100.0 14
/14 R1AB_SARS2 3C-like proteinase

7gij[1] F QGO
(4S)-6-chloro-4-[2-(dimethylamino)-2-oxoethyl]-N-(.. A 100.0
/100.0 14
/14 R1AB_SARS2 3C-like proteinase

7gij[1] G QGO
(4S)-6-chloro-4-[2-(dimethylamino)-2-oxoethyl]-N-(.. A 100.0
/100.0 13
/13 R1AB_SARS2 3C-like proteinase

7gil[1] K QH6
2-(3-chloro-4-fluorophenyl)-N-(isoquinolin-4-yl)ac.. B 100.0
/100.0 13
/13 R1AB_SARS2 3C-like proteinase

7gio[1] F QI4
(2S)-2-(3,4-dichlorophenyl)-N-(isoquinolin-4-yl)pr.. B 100.0
/100.0 1
/1 R1AB_SARS2 3C-like proteinase

7gio[1] L QI4
(2S)-2-(3,4-dichlorophenyl)-N-(isoquinolin-4-yl)pr.. B 100.0
/100.0 14
/14 R1AB_SARS2 3C-like proteinase

7giq[1] J QIM
(4R)-6-chloro-N-[6-(methanesulfonyl)isoquinolin-4-.. B 100.0
/100.0 14
/14 R1AB_SARS2 3C-like proteinase

7gir[1] M QIB
(4S)-6-chloro-4-hydroxy-N-(isoquinolin-4-yl)-3,4-d.. B 100.0
/100.0 14
/14 R1AB_SARS2 3C-like proteinase

7gis[1] M QIQ
2-(5-chloropyridin-3-yl)-N-(isoquinolin-4-yl)aceta.. B 100.0
/100.0 15
/15 R1AB_SARS2 3C-like proteinase

7giu[1] K QIZ
(4R)-6-chloro-7-fluoro-N-(isoquinolin-4-yl)-3,4-di.. B 100.0
/100.0 14
/14 R1AB_SARS2 3C-like proteinase

7giv[1] J QJ6
(2R)-2-(3,4-dichlorophenyl)-N-(isoquinolin-4-yl)-2.. B 100.0
/100.0 14
/14 R1AB_SARS2 3C-like proteinase

7giy[1] K OI4
(4R)-6-chloro-N-(4-methylpyridin-3-yl)-3,4-dihydro.. B 100.0
/100.0 14
/14 R1AB_SARS2 3C-like proteinase

7gj3[1] M PJ6
(4S)-6-chloro-N-(isoquinolin-4-yl)-4-methoxy-3,4-d.. B 100.0
/100.0 13
/13 R1AB_SARS2 3C-like proteinase

7gj6[1] F QKI
(2S)-2-(3,4-dichlorophenyl)-2-hydroxy-N-(isoquinol.. B 100.0
/100.0 1
/1 R1AB_SARS2 3C-like proteinase

7gj6[1] L QKI
(2S)-2-(3,4-dichlorophenyl)-2-hydroxy-N-(isoquinol.. B 100.0
/100.0 15
/15 R1AB_SARS2 3C-like proteinase

7gja[1] J QLC
(2R)-2-(3,4-dichlorophenyl)-N-(isoquinolin-4-yl)-2.. B 100.0
/100.0 16
/16 R1AB_SARS2 3C-like proteinase

7gjb[1] L QLO
(4S)-6-chloro-N-(isoquinolin-4-yl)-4-[2-(methylami.. B 100.0
/100.0 14
/14 R1AB_SARS2 3C-like proteinase

7gjd[1] F QM9
(4S)-4-amino-6-chloro-N-(isoquinolin-4-yl)-3,4-dih.. A 100.0
/100.0 14
/14 R1AB_SARS2 3C-like proteinase

7gjf[2] F QMX
(4R)-6-chloro-N-(isoquinolin-4-yl)-4-({[(1-methyl-.. A 100.0
/100.0 17
/17 R1AB_SARS2 3C-like proteinase

7gjh[1] F QNU
(4S)-6-chloro-N-(isoquinolin-4-yl)-1,2,3,4-tetrahy.. B 100.0
/100.0 1
/1 R1AB_SARS2 3C-like proteinase

7gjh[1] L QNU
(4S)-6-chloro-N-(isoquinolin-4-yl)-1,2,3,4-tetrahy.. B 100.0
/100.0 14
/14 R1AB_SARS2 3C-like proteinase

7gji[2] D QO0
(4S)-6,7-dichloro-N-(isoquinolin-4-yl)-4-methoxy-3.. A 100.0
/100.0 15
/15 R1AB_SARS2 3C-like proteinase

7gjj[1] E QOO
2-{3-chloro-5-[4-(ethanesulfonyl)piperazin-1-yl]ph.. A 100.0
/100.0 18
/18 R1AB_SARS2 3C-like proteinase

7gjl[1] E QOC
(3R)-3-(3,4-dichlorophenyl)-1-(isoquinolin-4-yl)pi.. B 100.0
/100.0 1
/1 R1AB_SARS2 3C-like proteinase

7gjr[1] E QQF
2-(3,4-dichlorophenyl)-N-(isoquinolin-4-yl)-N~2~-(.. B 100.0
/100.0 1
/1 R1AB_SARS2 3C-like proteinase

7gli[1] H R9I
methyl N-[(4S)-6-chloro-4-[(isoquinolin-4-yl)carba.. A 100.0
/100.0 13
/13 R1AB_SARS2 3C-like proteinase

7glm[1] I RBM
(4S)-6-chloro-2-[(2-cyanoethyl)(methyl)sulfamoyl]-.. A 100.0
/100.0 13
/13 R1AB_SARS2 3C-like proteinase

7glp[3] J 860
2-(3-chlorophenyl)-N-(isoquinolin-4-yl)acetamide[2.. A 100.0
/100.0 13
/13 R1AB_SARS2 3C-like proteinase

7s3s[2] B 860
2-(3-chlorophenyl)-N-(isoquinolin-4-yl)acetamide[2.. A 100.0
/100.0 1
/1 R1AB_SARS2 3C-like proteinase

7glt[1] I RC9
(4S)-6-chloro-2-[(1-cyanocyclobutyl)methanesulfony.. A 100.0
/100.0 14
/14 R1AB_SARS2 3C-like proteinase

7glx[1] J RDQ
(4S)-6-chloro-N-{6-[(methanesulfonyl)amino]isoquin.. A 100.0
/100.0 14
/14 R1AB_SARS2 3C-like proteinase

7gnj[2] I RZU
1-[(3'S)-6-chloro-1'-(isoquinolin-4-yl)-1,2'-dioxo.. A 100.0
/100.0 14
/14 R1AB_SARS2 3C-like proteinase

7gnk[1] I S0X
2-[(3'S)-6-chloro-1'-(isoquinolin-4-yl)-2'-oxo-1H-.. A 100.0
/100.0 15
/15 R1AB_SARS2 3C-like proteinase

7gnl[1] I S1U
(4S)-6-chloro-2-{2-[4-(4-ethylpiperazin-1-yl)anili.. B 100.0
/100.0 1
/1 R1AB_SARS2 3C-like proteinase

7gnl[1] N S1U
(4S)-6-chloro-2-{2-[4-(4-ethylpiperazin-1-yl)anili.. B 100.0
/100.0 17
/17 R1AB_SARS2 3C-like proteinase

7gno[1] H S3X
(4S)-6-chloro-N-(isoquinolin-4-yl)-2-(2-{[(1S)-1-(.. A 100.0
/100.0 14
/14 R1AB_SARS2 3C-like proteinase

7gno[1] P S3X
(4S)-6-chloro-N-(isoquinolin-4-yl)-2-(2-{[(1S)-1-(.. A 100.0
/100.0 1
/1 R1AB_SARS2 3C-like proteinase

7gnp[1] H S4X
(4S)-6-chloro-2-(2-{[(1r,3R,5R,7S)-3-hydroxyadaman.. A 100.0
/100.0 14
/14 R1AB_SARS2 3C-like proteinase

7gnq[1] G S5L
(4S)-2-[2-(4-acetamidoanilino)-2-oxoethyl]-6-chlor.. A 100.0
/100.0 15
/15 R1AB_SARS2 3C-like proteinase

7gnq[1] T S5L
(4S)-2-[2-(4-acetamidoanilino)-2-oxoethyl]-6-chlor.. A 100.0
/100.0 1
/1 R1AB_SARS2 3C-like proteinase

7gns[1] H S6K
1-{[(3'S,4'R)-6-chloro-1'-(isoquinolin-4-yl)-4'-me.. A 100.0
/100.0 16
/16 R1AB_SARS2 3C-like proteinase

7gnt[1] J S7C
1-{[(3'S,4'R)-6-chloro-4'-ethyl-1'-(isoquinolin-4-.. A 100.0
/100.0 16
/16 R1AB_SARS2 3C-like proteinase

7gnu[1] I S7U
1-{[(3'S)-6-chloro-1'-(isoquinolin-4-yl)-2'-oxo-1H.. A 100.0
/100.0 16
/16 R1AB_SARS2 3C-like proteinase

7gre[1] C XWH
4-[3-(trifluoromethyl)-1H-pyrazol-5-yl]pyridine[15.. A 100.0
/100.0 7
/7 R1AB_SARS2 3C-like proteinase nsp5

7grg[1] C Y2C
3,5-dichloropyridin-4-amine[9 atoms] A 100.0
/100.0 7
/7 R1AB_SARS2 3C-like proteinase nsp5

7grg[1] G Y2C
3,5-dichloropyridin-4-amine[9 atoms] A 100.0
/100.0 1
/1 R1AB_SARS2 3C-like proteinase nsp5

7grh[1] K Y25
5-chloropyridin-3-ol[8 atoms] B 100.0
/100.0 1
/1 R1AB_SARS2 3C-like proteinase nsp5

7grh[1] W Y25
5-chloropyridin-3-ol[8 atoms] B 100.0
/100.0 7
/7 R1AB_SARS2 3C-like proteinase nsp5

7gro[1] C Y3N
N-[4-cyano-2-(trifluoromethyl)phenyl]acetamide[16 .. A 100.0
/100.0 6
/6 R1AB_SARS2 3C-like proteinase nsp5

7grp[1] C VXQ
1-(2,3-dihydro-1-benzofuran-5-yl)methanamine[11 at.. A 100.0
/100.0 10
/10 R1AB_SARS2 3C-like proteinase nsp5

7grs[1] Q NT9
~{N}-methyl-1-(4-thiophen-2-ylphenyl)methanamine[1.. B 100.0
/100.0 10
/10 R1AB_SARS2 3C-like proteinase nsp5

7grs[1] R NT9
~{N}-methyl-1-(4-thiophen-2-ylphenyl)methanamine[1.. B 100.0
/100.0 5
/5 R1AB_SARS2 3C-like proteinase nsp5

7gru[1] J Y0H
3-(4-chlorophenyl)-1-methyl-1H-pyrazol-5-amine[14 .. B 100.0
/100.0 7
/7 R1AB_SARS2 3C-like proteinase nsp5

7grx[1] N XZT
1-(2,4-difluorophenyl)pyrrolidine-2,5-dione[15 ato.. B 100.0
/100.0 8
/8 R1AB_SARS2 3C-like proteinase nsp5

7gry[1] N XZO
1-(3,5-dichlorophenyl)pyrrolidine-2,5-dione[15 ato.. B 100.0
/100.0 9
/9 R1AB_SARS2 3C-like proteinase nsp5

7gs6[1] I XXN
(3S)-4,7-dichloro-3-hydroxy-1,3-dihydro-2H-indol-2.. B 100.0
/100.0 7
/7 R1AB_SARS2 3C-like proteinase nsp5

7gs6[1] J XXN
(3S)-4,7-dichloro-3-hydroxy-1,3-dihydro-2H-indol-2.. B 100.0
/100.0 12
/12 R1AB_SARS2 3C-like proteinase nsp5

7jt7[4] B TG3
ethyl (4R)-4-[[(2S)-4-methyl-2-[[(2S,3R)-3-[(2-met.. A 100.0
/100.0 20
/20 R1AB_SARS2 3C-like proteinase

7jw8[2] F BTB
2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PR.. A 100.0
/100.0 5
/5 R1AB_SARS2 3C-like proteinase

7kok[2] B Y96
5-[(E)-(hydroxyimino)methyl]-2-methyl-N-[(1R)-1-(n.. A 100.0
/99.7 10
/10 R1A_SARS2 Papain-like protease

7l11[1] C XF1
2-[3-(3-chloro-5-propoxyphenyl)-2-oxo[2H-[1,3'-bip.. A 100.0
/100.0 20
/20 R1AB_SARS2 3C-like proteinase

7l14[1] C XFD
2-{3-[3-chloro-5-(cyclopropylmethoxy)phenyl]-2-oxo.. A 100.0
/100.0 22
/22 R1AB_SARS2 3C-like proteinase

7lbr[2] F XT7
5-[(azetidin-3-yl)amino]-N-[(1R)-1-{3-[5-({[(1S,3R.. A 100.0
/100.0 11
/11 R1A_SARS2 Non-structural protein 3

7lbs[2] C XR8
5-[(azetidin-3-yl)amino]-2-methyl-N-[(1R)-1-(3-{5-.. A 100.0
/100.0 12
/12 R1A_SARS2 Non-structural protein 3

7lco[2] B XTJ
(3-fluorophenyl)methyl [(2S)-3-cyclopropyl-1-oxo-1.. A 100.0
/100.0 20
/20 R1AB_SARS2 3C-like proteinase

7lco[2] B XTJ
(3-fluorophenyl)methyl [(2S)-3-cyclopropyl-1-oxo-1.. A 100.0
/100.0 1
/1 R1AB_SARS2 3C-like proteinase

7lcr[2] C XTM
N~2~-{[(3-fluorophenyl)methoxy]carbonyl}-N-{(2S)-1.. A 100.0
/100.0 13
/13 R1AB_SARS2 3C-like proteinase

7lcr[1] D XTM
N~2~-{[(3-fluorophenyl)methoxy]carbonyl}-N-{(2S)-1.. A 100.0
/100.0 1
/1 R1AB_SARS2 3C-like proteinase

7lcs[2] B XTP
benzyl [(2S)-3-cyclopropyl-1-({(2S)-1-hydroxy-3-[(.. A 100.0
/100.0 17
/17 R1AB_SARS2 3C-like proteinase

7lcs[2] B XTP
benzyl [(2S)-3-cyclopropyl-1-({(2S)-1-hydroxy-3-[(.. A 100.0
/100.0 1
/1 R1AB_SARS2 3C-like proteinase

7lct[2] B XU4
N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]pro.. A 100.0
/100.0 19
/19 R1AB_SARS2 3C-like proteinase

7ldl[2] C XV4
N-[(2S)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin.. A 100.0
/100.0 18
/18 R1AB_SARS2 3C-like proteinase

7llf[2] I Y54
5-[(azetidin-3-yl)amino]-N-[(1R)-1-{3-[5-({[(1R,3S.. A 100.0
/100.0 11
/11 R1A_SARS2 Non-structural protein 3

7llz[2] C Y61
N-[(1R)-1-(3-{5-[(acetylamino)methyl]thiophen-2-yl.. A 100.0
/100.0 11
/11 R1A_SARS2 Non-structural protein 3

7los[2] E Y97
5-(azetidin-3-ylamino)-2-methyl-~{N}-[(1~{R})-1-[3.. A 100.0
/100.0 11
/11 R1A_SARS2 Non-structural protein 3

7ltj[4] B YD1
6-[4-(3,4-dichlorophenyl)piperazin-1-yl]carbonyl-1.. A 100.0
/100.0 16
/16 R1AB_SARS2 3C-like proteinase

7n8c[2] B YD1
6-[4-(3,4-dichlorophenyl)piperazin-1-yl]carbonyl-1.. A 100.0
/100.0 1
/1 R1AB_SARS2 3C-like proteinase

7ltn[2] B YCV
2-[4-(1~{H}-indazol-4-yl)-2-methanoyl-6-methoxy-ph.. A 100.0
/100.0 13
/13 R1AB_SARS2 3C-like proteinase

7ltn[2] B YCV
2-[4-(1~{H}-indazol-4-yl)-2-methanoyl-6-methoxy-ph.. A 100.0
/100.0 1
/1 R1AB_SARS2 3C-like proteinase

7mbi[2] F YWJ
4-methoxy-N-[(2S)-4-methyl-1-oxo-1-({(2S)-3-oxo-1-.. B 100.0
/100.0 18
/18 R1AB_SARS2 3C-like proteinase

7mbi[2] H YWJ
4-methoxy-N-[(2S)-4-methyl-1-oxo-1-({(2S)-3-oxo-1-.. B 100.0
/100.0 1
/1 R1AB_SARS2 3C-like proteinase

7mbi[1] G FN7
2,4,6-trimethylpyridine-3-carboxylic acid[12 atoms.. B 100.0
/100.0 3
/3 R1AB_SARS2 3C-like proteinase

7mng[2] B ZL7
(2R,3S)-N-cyclopropyl-3-{[(2R)-3-(cyclopropylmetha.. A 100.0
/100.0 16
/16 R1AB_SARS2 3C-like proteinase

7nt4[4] C PRL
PROFLAVIN[16 atoms] A 100.0
/100.0 5
/5 R1AB_SARS2 Non-structural protein 3

7nt4[2] E PRL
PROFLAVIN[16 atoms] A 100.0
/100.0 5
/5 R1AB_SARS2 Non-structural protein 3

7ofs[1] E YRL
4-(2-hydroxyethyl)phenol[10 atoms] A 100.0
/100.0 10
/10 R1A_SARS2 Papain-like protease nsp3

7oft[1] K HBA
P-HYDROXYBENZALDEHYDE[9 atoms] A 100.0
/100.0 9
/9 R1A_SARS2 Papain-like protease nsp3

7ofu[1] B HE9
methyl 3,4-bis(oxidanyl)benzoate[12 atoms] A 100.0
/100.0 3
/3 R1A_SARS2 Papain-like protease nsp3

7p2g[1] B 4N0
(4~{R})-~{N}-(4-iodophenyl)-2-oxidanylidene-3,4-di.. A 100.0
/100.0 14
/14 A0A7L9RWV7_SARS2 3C-like proteinase

7phz[5] C X77
N-(4-tert-butylphenyl)-N-[(1R)-2-(cyclohexylamino).. A 100.0
/100.0 17
/17 R1AB_SARS2 Replicase polyprotein 1ab

7q5e[1] C 90I
benzyl (S)-2-(((S)-3,4-dioxo-1-((S)-2-oxopyrrolidi.. A 100.0
/100.0 20
/20 R1AB_SARS2 3C-like proteinase

7q5f[1] C 90X
(S)-1-(2-(2,4-dichlorophenoxy)acetyl)-N-((S)-3,4-d.. A 100.0
/100.0 16
/16 R1AB_SARS2 3C-like proteinase

7qcg[1] B DZI
3,4,5-tris(oxidanyl)-N-[(E)-1H-pyrrol-2-ylmethylid.. A 100.0
/100.0 7
/7 R1A_SARS2 Papain-like protease nsp3

7qch[1] B A5I
N-(3,5-dimetoxy-4-hydroxybenzyliden)thiosemicarbaz.. A 100.0
/100.0 10
/10 R1A_SARS2 Papain-like protease nsp3

7qci[1] B A6Q
N-(3,4-dihydroxybenzylidene)-thiosemicarbazone[16 .. A 100.0
/100.0 10
/10 R1A_SARS2 Papain-like protease nsp3

7qcj[1] F A4O
N-(2,4-dihydroxybenzylidene)-thiosemicarbazone[14 .. A 100.0
/100.0 10
/10 R1A_SARS2 Papain-like protease nsp3

7qck[1] B A7L
N-(2,5-dihydroxybenzylidene)-thiosemicarbazone[16 .. A 100.0
/100.0 9
/9 R1A_SARS2 Papain-like protease nsp3

7r7h[2] C 4IT
N-[(2S)-1-({(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidi.. A 100.0
/100.0 19
/19 R1AB_SARS2 3C-like proteinase

7rfr[1] D 4W8
(1R,2S,5S)-N-{(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-.. B 100.0
/100.0 16
/16 R1AB_SARS2 3C-like proteinase

7rls[2] B 5YN
6-[4-(3,4,5-trichlorophenyl)piperazine-1-carbonyl].. A 100.0
/100.0 18
/18 R1AB_SARS2 3C-like proteinase

7rm2[2] B 5YJ
6-[4-(3,5-dichloro-4-methylphenyl)piperazine-1-car.. A 100.0
/100.0 17
/17 R1AB_SARS2 3C-like proteinase

7rmb[2] B 5Z7
6-[4-(4-bromo-3-chlorophenyl)piperazine-1-carbonyl.. A 100.0
/100.0 16
/16 R1AB_SARS2 3C-like proteinase

7rme[2] B 5Z3
6-{4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin.. A 100.0
/100.0 16
/16 R1AB_SARS2 3C-like proteinase

7rmt[2] B 5ZN
2-chloro-4-[4-(2,6-dioxo-1,2,5,6-tetrahydropyrimid.. A 100.0
/100.0 18
/18 R1AB_SARS2 3C-like proteinase

7rmz[2] B 5ZJ
6-{4-[3-chloro-4-(trifluoromethyl)phenyl]piperazin.. A 100.0
/100.0 17
/17 R1AB_SARS2 3C-like proteinase

7rn1[2] D 5ZF
N-([1,1'-biphenyl]-4-yl)-2-chloro-N-[(1R)-2-oxo-2-.. A 100.0
/100.0 17
/17 R1AB_SARS2 3C-like proteinase

7rn4[2] B H69
6-[4-(3,4-dichlorophenyl)piperidine-1-carbonyl]pyr.. A 100.0
/100.0 16
/16 R1AB_SARS2 3C-like proteinase

7rnh[2] B 5ZW
6-[4-(4-chlorophenyl)piperazine-1-carbonyl]pyrimid.. A 100.0
/100.0 13
/13 R1AB_SARS2 3C-like proteinase

7rnk[2] B 5ZT
6-{4-[3-chloro-4-(hydroxymethyl)phenyl]piperazine-.. A 100.0
/100.0 17
/17 R1AB_SARS2 3C-like proteinase

7s3k[2] B Z26
2-(5-chloro-2-methoxyphenyl)-N-(isoquinolin-4-yl)a.. A 100.0
/100.0 14
/14 R1AB_SARS2 3C-like proteinase

7s3k[2] B Z26
2-(5-chloro-2-methoxyphenyl)-N-(isoquinolin-4-yl)a.. A 100.0
/100.0 1
/1 R1AB_SARS2 3C-like proteinase

7s4b[2] B 87H
(2R)-2-(3-fluorophenyl)-N-(isoquinolin-4-yl)propan.. A 100.0
/100.0 14
/14 R1AB_SARS2 3C-like proteinase

7s4b[2] B 87H
(2R)-2-(3-fluorophenyl)-N-(isoquinolin-4-yl)propan.. A 100.0
/100.0 1
/1 R1AB_SARS2 3C-like proteinase

7sdr[3] D JW9
4-({methyl[(1R)-1-(naphthalen-1-yl)ethyl]amino}met.. A 100.0
/100.0 12
/12 R1A_SARS2 Non-structural protein 3

7set[2] B I70
(1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(.. A 100.0
/100.0 21
/21 R1AB_SARS2 3C-like proteinase

7sf1[2] B 8ZI
(1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(.. A 100.0
/100.0 21
/21 R1AB_SARS2 3C-like proteinase

7sfh[2] B 91I
(1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(.. A 100.0
/100.0 20
/20 R1AB_SARS2 3C-like proteinase

7sfi[2] B 91Z
(1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(.. A 100.0
/100.0 19
/19 R1AB_SARS2 3C-like proteinase

7sgh[1] F 99W
(S)-N-((S)-1-imino-3-((S)-2-oxopyrrolidin-3-yl)pro.. B 100.0
/100.0 19
/19 R1AB_SARS2 3C-like proteinase

7sgw[1] B L30
N-(naphthalen-1-yl)pyridine-3-carboxamide[19 atoms.. A 100.0
/100.0 9
/9 R1A_SARS2 Non-structural protein 3

7tdu[2] B I1W
(1R,2S,5S)-N-{(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-.. A 100.0
/100.0 24
/24 R1AB_SARS2 3C-like proteinase

7tdu[2] B I1W
(1R,2S,5S)-N-{(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-.. A 100.0
/100.0 1
/1 R1AB_SARS2 3C-like proteinase

7teh[2] B I1Z
(1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-v.. A 100.0
/100.0 20
/20 R1AB_SARS2 3C-like proteinase

7tfr[2] B NB2
(1R,2S,5S)-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrroli.. A 100.0
/100.0 18
/18 R1AB_SARS2 3C-like proteinase

7tuu[2] B U88
5-nitro-1,3-thiazole[8 atoms] A 100.0
/100.0 5
/5 R1A_SARS2 3C-like proteinase nsp5

7tuu[2] C U88
5-nitro-1,3-thiazole[8 atoms] A 100.0
/100.0 3
/3 R1A_SARS2 3C-like proteinase nsp5

7tuu[2] D U88
5-nitro-1,3-thiazole[8 atoms] A 100.0
/100.0 4
/4 R1A_SARS2 3C-like proteinase nsp5

7tuu[2] D U88
5-nitro-1,3-thiazole[8 atoms] A 100.0
/100.0 1
/1 R1A_SARS2 3C-like proteinase nsp5

7ur9[2] C O5F
(2P)-2-(isoquinolin-4-yl)-1-[4-(methylamino)-4-oxo.. A 100.0
/100.0 19
/19 R1AB_SARS2 3C-like proteinase nsp5

7wo1[2] B 3XI
N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxidanylidene.. A 100.0
/100.0 19
/19 R1A_SARS2 3C-like proteinase

7wo1[2] B 3XI
N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxidanylidene.. A 100.0
/100.0 1
/1 R1A_SARS2 3C-like proteinase

7xar[2] H BOV
4-fluoranyl-~{N}-[(2~{S})-1-[2-(2-fluoranylethanoy.. A 100.0
/100.0 16
/16 R1A_SARS2 3C-like proteinase

8a4q[2] B V9R
~{tert}-butyl ~{N}-[1-[(2~{R})-3-cyclopropyl-1-oxi.. A 100.0
/100.0 12
/12 R1AB_SARS2 3C-like proteinase nsp5

8a4q[2] B V9R
~{tert}-butyl ~{N}-[1-[(2~{R})-3-cyclopropyl-1-oxi.. A 100.0
/100.0 1
/1 R1AB_SARS2 3C-like proteinase nsp5

8aeb[2] C 35J
N-(pyridin-3-ylmethyl)thioformamide[10 atoms] A 100.0
/100.0 10
/10 R1AB_SARS2 3C-like proteinase nsp5

8aiq[2] C MXU
~{tert}-butyl ~{N}-[1-[(2~{S})-1-[[(2~{S},3~{R})-4.. A 100.0
/100.0 18
/18 R1AB_SARS2 Replicase polyprotein 1ab

8aiq[1] E MXU
~{tert}-butyl ~{N}-[1-[(2~{S})-1-[[(2~{S},3~{R})-4.. A 100.0
/100.0 1
/1 R1AB_SARS2 Replicase polyprotein 1ab

8aiv[2] C MFL
tert-butyl N-[1-[(2S)-3-cyclopropyl-1-[[(2S,3R)-4-.. A 100.0
/100.0 18
/18 R1AB_SARS2 3C-like proteinase nsp5

8aiv[2] E MFL
tert-butyl N-[1-[(2S)-3-cyclopropyl-1-[[(2S,3R)-4-.. A 100.0
/100.0 1
/1 R1AB_SARS2 3C-like proteinase nsp5

8aiz[1] B MIJ
(2~{R},3~{S})-3-[[(2~{S})-3-cyclopropyl-2-[2-oxida.. A 100.0
/100.0 18
/18 R1AB_SARS2 Replicase polyprotein 1ab

8b56[1] D OZI
(2~{S})-4-(2-chloranylethanoyl)-1-(3,4-dichlorophe.. B 100.0
/100.0 14
/14 R1AB_SARS2 3C-like proteinase nsp5

8bga[1] C QQL
4-methoxy-~{N}-[(2~{S})-4-methyl-1-[[(2~{S})-4-nit.. A 100.0
/100.0 18
/18 R1AB_SARS2 3C-like proteinase nsp5

8bgd[2] B QH0
(phenylmethyl) ~{N}-[(2~{S})-4-methyl-1-[[(2~{S})-.. A 100.0
/100.0 17
/17 R1AB_SARS2 3C-like proteinase nsp5

8cyu[2] F P5X
N-[(4-chlorothiophen-2-yl)methyl]-N-[4-(dimethylam.. B 100.0
/100.0 19
/19 R1AB_SARS2 3C-like proteinase

8cz4[2] G P6R
N-(4-tert-butylphenyl)-N-[(4-chlorothiophen-2-yl)m.. C 100.0
/100.0 19
/19 R1AB_SARS2 3C-like proteinase

8cz4[1] F P6R
N-(4-tert-butylphenyl)-N-[(4-chlorothiophen-2-yl)m.. D 100.0
/100.0 1
/1 R1AB_SARS2 3C-like proteinase

8cz7[2] G P7L
N-[(4-chlorothiophen-2-yl)methyl]-2-(isoquinolin-4.. C 100.0
/100.0 19
/19 R1AB_SARS2 3C-like proteinase

8dl9[2] B T4V
1-{4-[(naphthalen-1-yl)methyl]piperazin-1-yl}ethan.. A 100.0
/100.0 11
/11 R1AB_SARS2 3C-like proteinase

8dlb[2] B SRU
1-[(5S)-5-(3,4-dimethoxyphenyl)-3-phenyl-4,5-dihyd.. A 100.0
/100.0 11
/11 R1AB_SARS2 3C-like proteinase

8dmd[2] B SVL
1-[(3R)-4-[(3-chlorophenyl)methyl]-3-(2-methylprop.. A 100.0
/100.0 10
/10 R1AB_SARS2 3C-like proteinase

8eua[1] B WUK
methyl 4-{2-[3-(2-{[(1R)-1-(naphthalen-1-yl)ethyl].. A 100.0
/100.0 18
/18 R1AB_SARS2 Papain-like protease nsp3

8ezv[2] B X6O
(1R,2S,5S)-N-{(2S,3R)-4-(azetidin-1-yl)-3-hydroxy-.. A 100.0
/100.0 21
/21 R1AB_SARS2 3C-like proteinase nsp5

8ezz[2] B X70
(1R,2S,5S)-N-{(2S,3R)-4-(3,3-difluoroazetidin-1-yl.. A 100.0
/100.0 22
/22 R1AB_SARS2 3C-like proteinase nsp5

8f02[2] B X6T
(1R,2S,5S)-N-{(2S,3R)-4-(3,3-dimethylazetidin-1-yl.. A 100.0
/100.0 21
/21 R1AB_SARS2 3C-like proteinase nsp5

8f02[2] B X6T
(1R,2S,5S)-N-{(2S,3R)-4-(3,3-dimethylazetidin-1-yl.. A 100.0
/100.0 1
/1 R1AB_SARS2 3C-like proteinase nsp5

8f2c[2] B X9Z
(1R,2S,5S)-N-[(2S,3R)-4-(azetidin-1-yl)-3-hydroxy-.. A 100.0
/100.0 21
/21 R1AB_SARS2 3C-like proteinase nsp5

8f2d[2] B XA8
(1R,2S,5S)-N-[(2S,3R)-4-(azetidin-1-yl)-3-hydroxy-.. A 100.0
/100.0 22
/22 R1AB_SARS2 3C-like proteinase nsp5

8ftc[2] B Y8O
(1R,2S,5S)-3-[N-(difluoroacetyl)-3-methyl-L-valyl].. A 100.0
/100.0 20
/20 R1AB_SARS2 3C-like proteinase nsp5

8ftc[2] B Y8O
(1R,2S,5S)-3-[N-(difluoroacetyl)-3-methyl-L-valyl].. A 100.0
/100.0 1
/1 R1AB_SARS2 3C-like proteinase nsp5

8fy6[2] B YVZ
(1R,2S,5S)-6,6-dimethyl-3-[3-methyl-N-(trifluoroac.. A 100.0
/100.0 21
/21 R1AB_SARS2 3C-like proteinase nsp5

8g62[3] E YOO
3-methoxy-5-(1-methylpiperidin-4-yl)-N-[4-(pyrroli.. A 100.0
/100.0 10
/10 R1A_SARS2 Non-structural protein 3

8g62[1] F YOO
3-methoxy-5-(1-methylpiperidin-4-yl)-N-[4-(pyrroli.. A 100.0
/100.0 10
/10 R1A_SARS2 Non-structural protein 3

8g62[2] M YOO
3-methoxy-5-(1-methylpiperidin-4-yl)-N-[4-(pyrroli.. A 100.0
/100.0 4
/4 R1A_SARS2 Non-structural protein 3

8gtw[1] C K9U
(2S)-4-(3,4-dichlorophenyl)-1-[(2-oxidanylidene-1H.. A 100.0
/100.0 17
/17 R1A_SARS2 3C-like proteinase

8ifp[2] B OZ6
(1R,2S,5S)-3-[(2S)-2-(tert-butylcarbamoylamino)-3,.. A 100.0
/100.0 20
/20 R1A_SARS2 3C-like proteinase nsp5

8ift[2] B OZB
(8S)-N-[(1S)-1-cyano-2-[(3S)-2-oxidanylidenepyrrol.. A 100.0
/100.0 22
/22 R1A_SARS2 3C-like proteinase nsp5

8igx[2] B PQL
(8~{S})-~{N}-[(1~{S})-1-cyano-2-[(3~{S})-2-oxidany.. A 100.0
/100.0 23
/23 R1A_SARS2 3C-like proteinase nsp5

8jcn[2] B AO0
1-[3-(diphenoxyphosphorylamino)phenyl]ethanone[26 .. A 100.0
/100.0 16
/16 R1A_SARS2 3C-like proteinase nsp5

8okb[2] B VQR
methyl (4~{S})-4-[[(2~{S})-4-methyl-2-(phenylmetho.. A 100.0
/100.0 16
/16 R1AB_SARS2 3C-like proteinase nsp5

8okc[2] B VQN
(phenylmethyl) ~{N}-[(2~{R})-1-[[(~{Z},2~{S})-5-[4.. A 100.0
/100.0 15
/15 R1AB_SARS2 3C-like proteinase nsp5

8okc[2] B VQN
(phenylmethyl) ~{N}-[(2~{R})-1-[[(~{Z},2~{S})-5-[4.. A 100.0
/100.0 1
/1 R1AB_SARS2 3C-like proteinase nsp5

8okk[1] O 83F
tert-butyl-N-[(2S)-3-methyl-1-[(2S,4S)-4-methyl-2-.. B 100.0
/100.0 17
/17 R1AB_SARS2 3C-like proteinase nsp5

8okl[1] I 83N
tert-butyl-N-[(2S)-1-[(2S,4S)-4-methoxy-2-[[(2S)-1.. B 100.0
/100.0 17
/17 R1AB_SARS2 3C-like proteinase nsp5

8okn[1] H 83W
tert-butyl-N-[(2S,3R)-3-[(2-methylpropan-2-yl)oxy].. B 100.0
/100.0 18
/18 R1AB_SARS2 3C-like proteinase nsp5

8p5c[1] C 9M5
~{N}-(4-~{tert}-butylphenyl)-~{N}-[(1~{S})-2-(cycl.. A 100.0
/100.0 14
/14 R1AB_SARS2 3C-like proteinase nsp5

8r11[1] C XI0
1-[(2~{S})-2-(3-chlorophenyl)pyrrolidin-1-yl]-2-(5.. A 100.0
/100.0 15
/15 R1A_SARS2 3C-like proteinase

8r12[1] C XH9
2-[[4-(5-chloranylpyridin-3-yl)carbonyl-1,4-diazep.. A 100.0
/100.0 16
/16 R1A_SARS2 3C-like proteinase

8r12[1] E XH9
2-[[4-(5-chloranylpyridin-3-yl)carbonyl-1,4-diazep.. A 100.0
/100.0 1
/1 R1A_SARS2 3C-like proteinase

8r14[1] C XHW
(5-chloranylpyridin-3-yl)-[4-[(2-chlorophenyl)meth.. A 100.0
/100.0 16
/16 R1A_SARS2 3C-like proteinase

8r14[1] H XHW
(5-chloranylpyridin-3-yl)-[4-[(2-chlorophenyl)meth.. A 100.0
/100.0 1
/1 R1A_SARS2 3C-like proteinase

8r16[1] C XJ9
1-[6,7-bis(chloranyl)-3,4-dihydro-1H-isoquinolin-2.. A 100.0
/100.0 14
/14 R1A_SARS2 3C-like proteinase

8skh[2] B A1W
2-chloro-1-[(4R,5R)-3,4,5-triphenyl-4,5-dihydro-1H.. A 100.0
/100.0 16
/16 R1AB_SARS2 3C-like proteinase nsp5

8sty[2] B WGE
benzyl (3S)-3-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrol.. A 100.0
/100.0 16
/16 R1AB_SARS2 3C-like proteinase nsp5

8tbe[1] C ZQB
Pomotrelvir bound form[32 atoms] A 100.0
/100.0 20
/20 R1AB_SARS2 3C-like proteinase nsp5

8tbe[1] D ZQB
Pomotrelvir bound form[32 atoms] A 100.0
/100.0 1
/1 R1AB_SARS2 3C-like proteinase nsp5

8tpe[1] C JK0
N-[(1R)-2-(benzylamino)-2-oxo-1-(pyridin-3-yl)ethy.. A 100.0
/100.0 16
/16 R1AB_SARS2 Non-structural protein 7

8uab[2] B W28
N-[(2S)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin.. A 100.0
/100.0 17
/17 R1AB_SARS2 3C-like proteinase nsp5

8uh5[2] B WOK
(1R,2S,5S)-N-{(1S,2S)-1-(5-fluoro-1,3-benzothiazol.. A 100.0
/100.0 25
/25 R1AB_SARS2 3C-like proteinase nsp5

8uob[1] B XB5
5-[2-(dimethylamino)ethoxy]-N-{(1R)-1-[(3M,5P)-3-(.. A 100.0
/100.0 13
/13 R1A_SARS2 Papain-like protease nsp3

8uuf[1] B XWO
N-{(1R)-1-[(3M,5P)-3,5-bis(1-methyl-1H-pyrazol-4-y.. A 100.0
/100.0 13
/13 R1A_SARS2 Papain-like protease nsp3

8uug[1] B XXW
N-[(1R)-1-{(3M,5M)-3-[1-(difluoromethyl)-1H-pyrazo.. A 100.0
/100.0 14
/14 R1AB_SARS2 Papain-like protease nsp3

8uuh[1] B XYI
5-[2-(dimethylamino)ethoxy]-2-methyl-N-[(1R)-1-{(3.. A 100.0
/100.0 15
/15 R1A_SARS2 Papain-like protease nsp3

8uuv[1] B Y2I
N-{(1R)-1-[(3P,5P)-3-(1-cyclopropyl-1H-pyrazol-4-y.. A 100.0
/100.0 15
/15 R1A_SARS2 Papain-like protease nsp3

8uvm[4] E Y3R
ethyl 4-oxo-4-(2-{3-[2-({(1S)-1-[(3P)-3-(thiophen-.. A 100.0
/100.0 19
/19 R1AB_SARS2 Papain-like protease nsp3

8v4u[3] D YDL
N-(methoxycarbonyl)-3-methyl-L-valyl-(4R)-N-{(1Z,2.. B 100.0
/100.0 19
/19 R1AB_SARS2 3C-like proteinase nsp5

9bpf[2] D YDL
N-(methoxycarbonyl)-3-methyl-L-valyl-(4R)-N-{(1Z,2.. A 100.0
/100.0 1
/1 R1AB_SARS2 3C-like proteinase nsp5

8vsg[1] P A1AD0
(1R,2S,5S)-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolid.. B 100.0
/100.0 17
/17 R1AB_SARS2 3C-like proteinase nsp5

9arq[2] B T2L
(1R,2S,5S)-N-{(1S,2S)-1-(4-fluoro-1,3-benzothiazol.. A 100.0
/100.0 22
/22 R1AB_SARS2 3C-like proteinase nsp5

9brx[1] B A1ASL
(4R)-N-(2,4-dimethylphenyl)-7-methyl[1,2,4]triazol.. A 100.0
/99.7 11
/11 R1A_SARS2 Papain-like protease nsp3

7e35[1] D GYX
N-[(3-acetamidophenyl)methyl]-1-[(1R)-1-naphthalen.. B 100.0
/99.7 2
/2 R1AB_SARS2 Non-structural protein 3

7e35[1] F GYX
N-[(3-acetamidophenyl)methyl]-1-[(1R)-1-naphthalen.. B 100.0
/99.7 10
/10 R1AB_SARS2 Non-structural protein 3

8jux[2] D V00
~{N}-[(3-fluorophenyl)methyl]-1-[(1~{R})-1-(3-meth.. A 100.0
/99.7 12
/12 R1AB_SARS2 Non-structural protein 7

7jit[1] B Y95
5-[(carbamoylcarbamoyl)amino]-2-methyl-N-[(1R)-1-(.. A 100.0
/99.7 11
/11 R1A_SARS2 Papain-like protease

7koj[1] B Y94
2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]-5-{[(pr.. A 100.0
/99.7 11
/11 R1A_SARS2 Papain-like protease

7sgu[1] B 9EI
5-amino-N-(naphthalen-1-yl)pyridine-3-carboxamide[.. A 100.0
/99.7 8
/8 R1A_SARS2 Papain-like protease

7bfb[1] L 9JT
N-phenyl-2-selanylbenzamide[7 atoms] B 100.0
/100.0 3
/3 R1AB_SARS2 Main Protease

7bfb[1] O 9JT
N-phenyl-2-selanylbenzamide[7 atoms] B 100.0
/100.0 4
/4 R1AB_SARS2 Main Protease

7m1y[2] C 9JT
N-phenyl-2-selanylbenzamide[16 atoms] A 100.0
/99.7 7
/7 R1A_SARS2 Papain-like protease

7d7k[4] D CFF
CAFFEINE[14 atoms] A 100.0
/99.7 4
/4 R1AB_SARS2 Non-structural protein 3

7d7l[2] E GXU
1-(2-methoxyethyl)-2-methyl-3-(pyrazin-2-ylmethyl).. A 100.0
/99.7 9
/9 R1AB_SARS2 Non-structural protein 3

7d7l[2] F GXU
1-(2-methoxyethyl)-2-methyl-3-(pyrazin-2-ylmethyl).. A 100.0
/99.7 4
/4 R1AB_SARS2 Non-structural protein 3

7d7l[1] R GXU
1-(2-methoxyethyl)-2-methyl-3-(pyrazin-2-ylmethyl).. B 100.0
/99.7 4
/4 R1AB_SARS2 Non-structural protein 3

7jiv[1] B VBY
5-(acryloylamino)-2-methyl-N-[(1R)-1-(naphthalen-1.. A 100.0
/99.7 11
/11 R1A_SARS2 Papain-like protease

7rzc[6] D JWX
(1R)-N-[(1H-indol-3-yl)methyl]-N-methyl-1-(naphtha.. A 100.0
/100.0 10
/10 R1A_SARS2 Non-structural protein 3

7mpb[1] E ASC
ASCORBIC ACID[12 atoms] B 100.0
/99.7 10
/10 R1AB_SARS2 3C-like proteinase

7jn2[2] B Y41
3-amino-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl].. A 100.0
/100.0 9
/9 R1A_SARS2 Papain-like protease

7rfs[25] B 4WI
(1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrroli.. A 100.0
/100.0 21
/21 R1AB_SARS2 3C-like proteinase

7rvm[2] B 7V2
N-[(benzyloxy)carbonyl]-L-valyl-N-{(2S)-1-hydroxy-.. A 100.0
/99.7 18
/18 R1AB_SARS2 3C-like proteinase

7rvo[2] C 7VI
N-[(benzyloxy)carbonyl]-L-valyl-3-cyclopropyl-N-{(.. A 100.0
/99.7 19
/19 R1AB_SARS2 3C-like proteinase

7rvp[2] C 7VQ
N-[(benzyloxy)carbonyl]-L-valyl-3-furan-2-yl-N-{(2.. A 100.0
/99.7 20
/20 R1AB_SARS2 3C-like proteinase

7rvr[2] B 7W5
N-[(benzyloxy)carbonyl]-3-methyl-L-valyl-N-{(2S)-1.. A 100.0
/99.7 21
/21 R1AB_SARS2 3C-like proteinase

7rvw[2] B 7YB
benzyl (1-{[(2S)-3-cyclohexyl-1-({(2S)-1-hydroxy-3.. A 100.0
/99.7 18
/18 R1AB_SARS2 3C-like proteinase

7rvy[2] B 7YQ
O-tert-butyl-N-{[(3-chlorophenyl)methoxy]carbonyl}.. A 100.0
/99.7 21
/21 R1AB_SARS2 3C-like proteinase

7rw0[2] B 7YZ
N-{[(3-chlorophenyl)methoxy]carbonyl}-L-valyl-3-cy.. A 100.0
/99.7 20
/20 R1AB_SARS2 3C-like proteinase

7s6y[2] B 8GW
(1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-v.. A 100.0
/99.7 19
/19 R1AB_SARS2 3C-like proteinase

7s6z[2] B I71
(1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-v.. A 100.0
/99.7 19
/19 R1AB_SARS2 3C-like proteinase

7s71[2] B 8H9
(1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-v.. A 100.0
/99.7 18
/18 R1AB_SARS2 3C-like proteinase

7s73[2] B I69
(6S)-5-{(2S)-2-[(tert-butylcarbamoyl)amino]-3,3-di.. A 100.0
/99.7 19
/19 R1AB_SARS2 3C-like proteinase

7s75[2] B 8I7
(1R,2S,5S)-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolid.. A 100.0
/99.7 18
/18 R1AB_SARS2 3C-like proteinase

7sd9[2] B 8T6
N-[(2S)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin.. A 100.0
/99.7 14
/14 R1AB_SARS2 3C-like proteinase

7sda[2] B 8UI
N-[(2S)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin.. A 100.0
/99.7 17
/17 R1AB_SARS2 3C-like proteinase

7sdc[2] B I80
(1R,2S,5S)-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolid.. A 100.0
/99.7 19
/19 R1AB_SARS2 3C-like proteinase

7u92[4] B M0C
(1R,2S,5S)-N-{(2S,3R)-4-(azetidin-1-yl)-3-hydroxy-.. A 100.0
/100.0 23
/23 R1AB_SARS2 3C-like proteinase

8a4t[2] C O6K
~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclopropyl-1-oxi.. A 100.0
/100.0 16
/16 R1AB_SARS2 3C-like proteinase nsp5

8dz0[2] E 7YY
6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1.. B 100.0
/100.0 1
/1 R1AB_SARS2 3C-like proteinase nsp5

8dz0[2] G 7YY
6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1.. B 100.0
/100.0 18
/18 R1AB_SARS2 3C-like proteinase nsp5

8h6n[2] C LQZ
2-(diethylamino)-N-(2,6-dimethylphenyl)ethanamide[.. A 100.0
/99.7 5
/5 R1A_SARS2 3C-like proteinase nsp5

9brv[1] C A1ASK
N-[2-(dimethylamino)ethyl]-N'-(3-methylphenyl)thio.. A 100.0
/99.1 8
/8 R1AB_SARS2 Papain-like protease nsp3

9brv[1] E A1ASK
N-[2-(dimethylamino)ethyl]-N'-(3-methylphenyl)thio.. A 100.0
/99.1 3
/3 R1AB_SARS2 Papain-like protease nsp3

7ybg[1] C MLA
MALONIC ACID[7 atoms] A 83.3
/99.1 6
/6 R1A_SARS2 Papain-like protease nsp3

9brw[4] E A1ARL
N-(2-chlorophenyl)-1-methyl-1H-pyrazolo[3,4-d]pyri.. A 100.0
/99.4 9
/9 R1A_SARS2 Papain-like protease nsp3

3.a³:asym_id for the contact molecule. 4.a⁴:asym_id for the template homologue. 5.identity[%]⁵:sequence identity between the query and the template homologue only for the contact residues. Number after the slash / is sequence identity for all the aligned region. 6.Ncon⁶:number of aligned contact residues for the query. Number after the slash / is number of contact residues in the template homologue.

METAL

4405 pdb_id contact mol homologue

a³ description a⁴ identity[%]⁵ Ncon⁶ description

6xbi[1] G NA
SODIUM ION[1 atoms] A 100.0
/100.0 3
/3 R1AB_SARS2 3C-like proteinase

6z2e[2] E NA
SODIUM ION[1 atoms] A 100.0
/100.0 4
/4 R1AB_SARS2 3C-like proteinase

7bfb[18] P NA
SODIUM ION[1 atoms] B 100.0
/100.0 5
/5 R1AB_SARS2 Main Protease

7gnp[1] O NA
SODIUM ION[1 atoms] A 100.0
/100.0 2
/2 R1AB_SARS2 3C-like proteinase

7gre[2] H NA
SODIUM ION[1 atoms] A 100.0
/100.0 2
/2 R1AB_SARS2 3C-like proteinase nsp5

7gre[4] H NA
SODIUM ION[1 atoms] B 100.0
/100.0 1
/1 R1AB_SARS2 3C-like proteinase nsp5

7jyc[4] G NA
SODIUM ION[1 atoms] A 100.0
/100.0 3
/3 R1AB_SARS2 3C-like proteinase

7m1y[4] P NA
SODIUM ION[1 atoms] A 100.0
/99.7 4
/4 R1A_SARS2 Papain-like protease

7ntt[3] C NA
SODIUM ION[1 atoms] A 100.0
/100.0 6
/6 R1A_SARS2 3C-like proteinase

7ntt[3] C NA
SODIUM ION[1 atoms] B 100.0
/100.0 1
/1 R1A_SARS2 3C-like proteinase

7ybg[1] E NA
SODIUM ION[1 atoms] A 66.7
/99.1 3
/3 R1A_SARS2 Papain-like protease nsp3

7ybg[1] F NA
SODIUM ION[1 atoms] A 100.0
/99.1 4
/4 R1A_SARS2 Papain-like protease nsp3

8aeb[2] E NA
SODIUM ION[1 atoms] A 100.0
/100.0 6
/6 R1AB_SARS2 3C-like proteinase nsp5

8aeb[2] F NA
SODIUM ION[1 atoms] A 100.0
/100.0 5
/5 R1AB_SARS2 3C-like proteinase nsp5

8aeb[2] H NA
SODIUM ION[1 atoms] A 100.0
/100.0 2
/2 R1AB_SARS2 3C-like proteinase nsp5

8cx9[2] R NA
SODIUM ION[1 atoms] B 100.0
/100.0 2
/2 R1A_SARS2 Papain-like protease nsp3

8p54[2] E NA
SODIUM ION[1 atoms] A 100.0
/100.0 3
/3 R1AB_SARS2 3C-like proteinase nsp5

6yvf[3] L CA
CALCIUM ION[1 atoms] A 100.0
/100.0 1
/1 R1AB_SARS2 3C-like proteinase

7gi3[1] BA CA
CALCIUM ION[1 atoms] B 100.0
/100.0 1
/1 R1AB_SARS2 3C-like proteinase

7sfh[4] C CA
CALCIUM ION[1 atoms] A 100.0
/100.0 1
/1 R1AB_SARS2 3C-like proteinase

7oft[1] L K
POTASSIUM ION[1 atoms] A 100.0
/100.0 1
/1 R1A_SARS2 Papain-like protease nsp3

7oft[1] M K
POTASSIUM ION[1 atoms] A 100.0
/100.0 3
/3 R1A_SARS2 Papain-like protease nsp3

7xar[1] C NI
NICKEL (II) ION[1 atoms] A 100.0
/100.0 2
/2 R1A_SARS2 3C-like proteinase

7xar[2] D NI
NICKEL (II) ION[1 atoms] A 100.0
/100.0 1
/1 R1A_SARS2 3C-like proteinase

7xar[2] E NI
NICKEL (II) ION[1 atoms] A 100.0
/100.0 1
/1 R1A_SARS2 3C-like proteinase

7xar[2] J NI
NICKEL (II) ION[1 atoms] A 100.0
/100.0 1
/1 R1A_SARS2 3C-like proteinase

8b56[1] G BR
BROMIDE ION[1 atoms] B 100.0
/100.0 2
/2 R1AB_SARS2 3C-like proteinase nsp5

8cx9[1] N BR
BROMIDE ION[1 atoms] A 100.0
/100.0 3
/3 R1A_SARS2 Papain-like protease nsp3

8cx9[1] P BR
BROMIDE ION[1 atoms] B 100.0
/100.0 3
/3 R1A_SARS2 Papain-like protease nsp3

8cx9[1] Q BR
BROMIDE ION[1 atoms] B 100.0
/100.0 3
/3 R1A_SARS2 Papain-like protease nsp3

8cx9[1] V BR
BROMIDE ION[1 atoms] D 100.0
/100.0 3
/3 R1A_SARS2 Papain-like protease nsp3

8r11[3] E BR
BROMIDE ION[1 atoms] A 100.0
/100.0 3
/3 R1A_SARS2 3C-like proteinase

8r11[1] F BR
BROMIDE ION[1 atoms] A 100.0
/100.0 3
/3 R1A_SARS2 3C-like proteinase

6w9c[106] D ZN
ZINC ION[1 atoms] A 100.0
/100.0 4
/4 R1A_SARS2 Non-structural protein 3

6w9c[2] H ZN
ZINC ION[1 atoms] A 100.0
/100.0 2
/2 R1A_SARS2 Non-structural protein 3

7cjm[1] C ZN
ZINC ION[1 atoms] A 100.0
/99.7 1
/1 R1AB_SARS2 Non-structural protein 3

7cjm[9] D ZN
ZINC ION[1 atoms] A 100.0
/99.7 2
/2 R1AB_SARS2 Non-structural protein 3

7d7k[4] C ZN
ZINC ION[1 atoms] A 100.0
/99.7 4
/4 R1AB_SARS2 Non-structural protein 3

7fac[1] B ZN
ZINC ION[1 atoms] A 100.0
/65.3 4
/4 R1A_SARS Non-structural protein 2

7fac[1] C ZN
ZINC ION[1 atoms] A 100.0
/65.3 7
/7 R1A_SARS Non-structural protein 2

7jir[10] D ZN
ZINC ION[1 atoms] A 100.0
/99.7 3
/3 R1A_SARS2 Papain-like protease

7jir[19] E ZN
ZINC ION[1 atoms] A 100.0
/99.7 2
/2 R1A_SARS2 Papain-like protease

7jir[14] F ZN
ZINC ION[1 atoms] A 100.0
/99.7 2
/2 R1A_SARS2 Papain-like protease

7k3t[28] M ZN
ZINC ION[1 atoms] A 100.0
/100.0 2
/2 R1AB_SARS2 3C-like proteinase

7msw[2] B ZN
ZINC ION[1 atoms] A 100.0
/100.0 5
/5 R1AB_SARS2 Non-structural protein 2

7msw[2] D ZN
ZINC ION[1 atoms] A 100.0
/100.0 4
/4 R1AB_SARS2 Non-structural protein 2

8eua[1] D ZN
ZINC ION[1 atoms] A 100.0
/100.0 1
/1 R1AB_SARS2 Papain-like protease nsp3

8eua[1] E ZN
ZINC ION[1 atoms] A 100.0
/100.0 1
/1 R1AB_SARS2 Papain-like protease nsp3

8uuy[1] F ZN
ZINC ION[1 atoms] A 100.0
/100.0 2
/2 R1A_SARS2 Papain-like protease nsp3

8uuy[1] J ZN
ZINC ION[1 atoms] A 100.0
/100.0 1
/1 R1A_SARS2 Papain-like protease nsp3

6wuu[1] K MG
MAGNESIUM ION[1 atoms] B 100.0
/98.8 1
/1 R1AB_SARS2 Non-structural protein 3

6wuu[1] M MG
MAGNESIUM ION[1 atoms] C 100.0
/99.7 1
/1 R1AB_SARS2 Non-structural protein 3

6wuu[1] O MG
MAGNESIUM ION[1 atoms] D 100.0
/99.7 5
/5 R1AB_SARS2 Non-structural protein 3

6wuu[1] P MG
MAGNESIUM ION[1 atoms] D 100.0
/99.7 2
/2 R1AB_SARS2 Non-structural protein 3

7gs6[1] M MG
MAGNESIUM ION[1 atoms] B 100.0
/100.0 4
/4 R1AB_SARS2 3C-like proteinase nsp5

8jux[1] C MG
MAGNESIUM ION[1 atoms] A 100.0
/99.7 2
/2 R1AB_SARS2 Non-structural protein 7

7m1y[2] G IOD
IODIDE ION[1 atoms] A 100.0
/99.7 3
/3 R1A_SARS2 Papain-like protease

7m1y[2] H IOD
IODIDE ION[1 atoms] A 100.0
/99.7 4
/4 R1A_SARS2 Papain-like protease

7m1y[2] I IOD
IODIDE ION[1 atoms] A 100.0
/99.7 1
/1 R1A_SARS2 Papain-like protease

7m1y[2] J IOD
IODIDE ION[1 atoms] A 100.0
/99.7 4
/4 R1A_SARS2 Papain-like protease

7m1y[2] K IOD
IODIDE ION[1 atoms] A 100.0
/99.7 1
/1 R1A_SARS2 Papain-like protease

7m1y[2] L IOD
IODIDE ION[1 atoms] A 100.0
/99.7 2
/2 R1A_SARS2 Papain-like protease

7m1y[1] Y IOD
IODIDE ION[1 atoms] B 100.0
/99.7 1
/1 R1A_SARS2 Papain-like protease

7jn2[19] M UNX
UNKNOWN ATOM OR ION[1 atoms] A 100.0
/100.0 1
/1 R1A_SARS2 Papain-like protease

7koj[11] M UNX
UNKNOWN ATOM OR ION[1 atoms] A 100.0
/99.7 2
/2 R1A_SARS2 Papain-like protease

6w9c[92] E CL
CHLORIDE ION[1 atoms] A 100.0
/100.0 7
/7 R1A_SARS2 Non-structural protein 3

6wrh[33] F CL
CHLORIDE ION[1 atoms] A 100.0
/99.7 3
/3 R1AB_SARS2 Non-structural protein 3

6wrh[16] G CL
CHLORIDE ION[1 atoms] A 100.0
/99.7 6
/6 R1AB_SARS2 Non-structural protein 3

6ynq[16] D CL
CHLORIDE ION[1 atoms] A 100.0
/100.0 1
/1 R1AB_SARS2 3C-like proteinase

6yvf[2] C CL
CHLORIDE ION[1 atoms] A 100.0
/100.0 5
/5 R1AB_SARS2 3C-like proteinase

6yvf[2] D CL
CHLORIDE ION[1 atoms] A 100.0
/100.0 1
/1 R1AB_SARS2 3C-like proteinase

6z2e[4] D CL
CHLORIDE ION[1 atoms] A 100.0
/100.0 5
/5 R1AB_SARS2 3C-like proteinase

7af0[2] D CL
CHLORIDE ION[1 atoms] A 100.0
/100.0 2
/2 R1AB_SARS2 3C-like proteinase

7aga[9] D CL
CHLORIDE ION[1 atoms] A 100.0
/100.0 3
/3 R1AB_SARS2 3C-like proteinase

7avd[2] C CL
CHLORIDE ION[1 atoms] A 100.0
/100.0 7
/7 R1AB_SARS2 3C-like proteinase

7bb2[33] L CL
CHLORIDE ION[1 atoms] A 100.0
/100.0 3
/3 R1AB_SARS2 3C-like proteinase

7ghr[3] Q CL
CHLORIDE ION[1 atoms] B 100.0
/100.0 2
/2 R1AB_SARS2 3C-like proteinase

7ghz[8] Z CL
CHLORIDE ION[1 atoms] B 100.0
/100.0 3
/3 R1AB_SARS2 3C-like proteinase

7gi3[32] AA CL
CHLORIDE ION[1 atoms] B 100.0
/100.0 1
/1 R1AB_SARS2 3C-like proteinase

7gid[1] H CL
CHLORIDE ION[1 atoms] A 100.0
/100.0 4
/4 R1AB_SARS2 3C-like proteinase

7gnp[2] P CL
CHLORIDE ION[1 atoms] A 100.0
/100.0 3
/3 R1AB_SARS2 3C-like proteinase

7gnq[1] O CL
CHLORIDE ION[1 atoms] A 100.0
/100.0 2
/2 R1AB_SARS2 3C-like proteinase

7gre[4] O CL
CHLORIDE ION[1 atoms] B 100.0
/100.0 2
/2 R1AB_SARS2 3C-like proteinase nsp5

7jir[4] J CL
CHLORIDE ION[1 atoms] A 100.0
/99.7 3
/3 R1A_SARS2 Papain-like protease

7jn2[5] K CL
CHLORIDE ION[1 atoms] A 100.0
/100.0 4
/4 R1A_SARS2 Papain-like protease

7los[3] M CL
CHLORIDE ION[1 atoms] B 100.0
/100.0 1
/1 R1A_SARS2 Non-structural protein 3

7m1y[10] E CL
CHLORIDE ION[1 atoms] A 100.0
/99.7 4
/4 R1A_SARS2 Papain-like protease

7nfv[4] F CL
CHLORIDE ION[1 atoms] A 100.0
/100.0 4
/4 R1A_SARS2 Papain-like protease nsp3

7oft[3] E CL
CHLORIDE ION[1 atoms] A 100.0
/100.0 3
/3 R1A_SARS2 Papain-like protease nsp3

7oft[1] J CL
CHLORIDE ION[1 atoms] A 100.0
/100.0 2
/2 R1A_SARS2 Papain-like protease nsp3

7q5e[1] E CL
CHLORIDE ION[1 atoms] A 100.0
/100.0 1
/1 R1AB_SARS2 3C-like proteinase

7qcj[3] L CL
CHLORIDE ION[1 atoms] A 100.0
/100.0 2
/2 R1A_SARS2 Papain-like protease nsp3

7qcj[1] N CL
CHLORIDE ION[1 atoms] A 100.0
/100.0 1
/1 R1A_SARS2 Papain-like protease nsp3

7sqe[1] S CL
CHLORIDE ION[1 atoms] C 100.0
/99.7 3
/3 R1A_SARS2 Papain-like protease

7xar[1] F CL
CHLORIDE ION[1 atoms] A 100.0
/100.0 1
/1 R1A_SARS2 3C-like proteinase

7xar[1] G CL
CHLORIDE ION[1 atoms] A 100.0
/100.0 2
/2 R1A_SARS2 3C-like proteinase

8cx9[1] W CL
CHLORIDE ION[1 atoms] D 100.0
/100.0 3
/3 R1A_SARS2 Papain-like protease nsp3

8fwo[1] H CL
CHLORIDE ION[1 atoms] A 100.0
/100.0 1
/1 R1AB_SARS2 Papain-like protease nsp3

8r14[2] G CL
CHLORIDE ION[1 atoms] A 100.0
/100.0 1
/1 R1A_SARS2 3C-like proteinase

8uuf[1] I CL
CHLORIDE ION[1 atoms] A 100.0
/100.0 2
/2 R1A_SARS2 Papain-like protease nsp3

8uuv[1] I CL
CHLORIDE ION[1 atoms] A 100.0
/100.0 2
/2 R1A_SARS2 Papain-like protease nsp3

3.a³:asym_id for the contact molecule. 4.a⁴:asym_id for the template homologue. 5.identity[%]⁵:sequence identity between the query and the template homologue only for the contact residues. Number after the slash / is sequence identity for all the aligned region. 6.Ncon⁶:number of aligned contact residues for the query. Number after the slash / is number of contact residues in the template homologue.

HOMO

4405 pdb_id contact mol homologue

a³ description a⁴ identity[%]⁵ Ncon⁶ description

6lu7[521] A R1AB_SARS2 3C-like proteinase[306 aa] A 100.0
/100.0 34
/34 R1AB_SARS2 3C-like proteinase

7e5x[1] C R1AB_SARS2 3C-like proteinase[306 aa] A 100.0
/100.0 18
/18 R1AB_SARS2 3C-like proteinase

7e5x[1] C R1AB_SARS2 3C-like proteinase[306 aa] B 100.0
/100.0 4
/4 R1AB_SARS2 3C-like proteinase

7e5x[1] A R1AB_SARS2 3C-like proteinase[306 aa] C 100.0
/100.0 7
/7 R1AB_SARS2 3C-like proteinase

7e5x[1] B R1AB_SARS2 3C-like proteinase[306 aa] C 100.0
/100.0 5
/5 R1AB_SARS2 3C-like proteinase

7rm2[8] A R1AB_SARS2 3C-like proteinase[306 aa] A 100.0
/100.0 11
/11 R1AB_SARS2 3C-like proteinase

6w9c[11] B R1A_SARS2 Non-structural protein 3[307 aa] A 100.0
/100.0 5
/5 R1A_SARS2 Non-structural protein 3

6xg3[2] A R1AB_SARS2 Non-structural protein 3[313 aa] A 100.0
/99.7 24
/24 R1AB_SARS2 Non-structural protein 3

7cjd[1] B R1AB_SARS2 Non-structural protein 3[297 aa] A 100.0
/99.7 10
/10 R1AB_SARS2 Non-structural protein 3

7cjd[1] D R1AB_SARS2 Non-structural protein 3[310 aa] A 100.0
/99.7 14
/14 R1AB_SARS2 Non-structural protein 3

8yax[6] A R1AB_SARS2 Papain-like protease nsp3[1314 aa] A 100.0
/100.0 44
/44 R1AB_SARS2 Papain-like protease nsp3

8yax[6] A R1AB_SARS2 Papain-like protease nsp3[1314 aa] A 100.0
/100.0 48
/48 R1AB_SARS2 Papain-like protease nsp3

8yax[6] A R1AB_SARS2 Papain-like protease nsp3[1314 aa] B 100.0
/100.0 7
/7 R1AB_SARS2 Papain-like protease nsp3

8yax[6] A R1AB_SARS2 Papain-like protease nsp3[1314 aa] B 100.0
/100.0 24
/24 R1AB_SARS2 Papain-like protease nsp3

8yax[6] A R1AB_SARS2 Papain-like protease nsp3[1314 aa] B 100.0
/100.0 17
/17 R1AB_SARS2 Papain-like protease nsp3

8yax[6] B R1AB_SARS2 Papain-like protease nsp3[543 aa] A 100.0
/100.0 9
/9 R1AB_SARS2 Papain-like protease nsp3

8yax[6] B R1AB_SARS2 Papain-like protease nsp3[543 aa] A 100.0
/100.0 15
/15 R1AB_SARS2 Papain-like protease nsp3

8yax[6] B R1AB_SARS2 Papain-like protease nsp3[543 aa] A 100.0
/100.0 24
/24 R1AB_SARS2 Papain-like protease nsp3

8yax[36] C R1AB_SARS2 Non-structural protein 4[371 aa] C 100.0
/100.0 12
/12 R1AB_SARS2 Non-structural protein 4

8yax[18] D R1AB_SARS2 Non-structural protein 4[371 aa] C 100.0
/100.0 4
/4 R1AB_SARS2 Non-structural protein 4

8yax[18] D R1AB_SARS2 Non-structural protein 4[371 aa] C 100.0
/100.0 6
/6 R1AB_SARS2 Non-structural protein 4

8yax[18] D R1AB_SARS2 Non-structural protein 4[371 aa] C 100.0
/100.0 3
/3 R1AB_SARS2 Non-structural protein 4

8yax[36] D R1AB_SARS2 Non-structural protein 4[371 aa] C 100.0
/100.0 3
/3 R1AB_SARS2 Non-structural protein 4

8yax[18] C R1AB_SARS2 Non-structural protein 4[371 aa] D 100.0
/100.0 4
/4 R1AB_SARS2 Non-structural protein 4

8yax[18] C R1AB_SARS2 Non-structural protein 4[371 aa] D 100.0
/100.0 2
/2 R1AB_SARS2 Non-structural protein 4

8yax[18] C R1AB_SARS2 Non-structural protein 4[371 aa] D 100.0
/100.0 7
/7 R1AB_SARS2 Non-structural protein 4

8yax[18] D R1AB_SARS2 Non-structural protein 4[371 aa] D 100.0
/100.0 3
/3 R1AB_SARS2 Non-structural protein 4

8yax[18] D R1AB_SARS2 Non-structural protein 4[371 aa] D 100.0
/100.0 4
/4 R1AB_SARS2 Non-structural protein 4

8yb5[12] A R1AB_SARS2 Papain-like protease nsp3[353 aa] A 100.0
/100.0 9
/9 R1AB_SARS2 Papain-like protease nsp3

8yb5[12] A R1AB_SARS2 Papain-like protease nsp3[353 aa] A 100.0
/100.0 9
/9 R1AB_SARS2 Papain-like protease nsp3

8yb5[12] B R1AB_SARS2 Papain-like protease nsp3[361 aa] A 100.0
/100.0 9
/9 R1AB_SARS2 Papain-like protease nsp3

8yb5[12] B R1AB_SARS2 Papain-like protease nsp3[361 aa] A 100.0
/100.0 4
/4 R1AB_SARS2 Papain-like protease nsp3

8yb5[12] B R1AB_SARS2 Papain-like protease nsp3[361 aa] A 100.0
/100.0 12
/12 R1AB_SARS2 Papain-like protease nsp3

8yb5[12] A R1AB_SARS2 Papain-like protease nsp3[353 aa] B 100.0
/100.0 6
/6 R1AB_SARS2 Papain-like protease nsp3

8yb5[12] A R1AB_SARS2 Papain-like protease nsp3[353 aa] B 100.0
/100.0 13
/13 R1AB_SARS2 Papain-like protease nsp3

8yb5[12] A R1AB_SARS2 Papain-like protease nsp3[353 aa] B 100.0
/100.0 4
/4 R1AB_SARS2 Papain-like protease nsp3

3.a³:asym_id for the contact molecule. 4.a⁴:asym_id for the template homologue. 5.identity[%]⁵:sequence identity between the query and the template homologue only for the contact residues. Number after the slash / is sequence identity for all the aligned region. 6.Ncon⁶:number of aligned contact residues for the query. Number after the slash / is number of contact residues in the template homologue.

PRECIPITANT

4405 pdb_id contact mol homologue

a³ description a⁴ identity[%]⁵ Ncon⁶ description

6wrh[3] C PO4
PHOSPHATE ION[5 atoms] A 83.3
/99.7 6
/6 R1AB_SARS2 Non-structural protein 3

6wrh[3] D PO4
PHOSPHATE ION[5 atoms] A 100.0
/99.7 2
/2 R1AB_SARS2 Non-structural protein 3

6wrh[2] E PO4
PHOSPHATE ION[5 atoms] A 100.0
/99.7 5
/5 R1AB_SARS2 Non-structural protein 3

7d6h[1] C PO4
PHOSPHATE ION[5 atoms] A 83.3
/99.7 6
/6 R1A_SARS2 Papain-like protease

7nfv[11] E PO4
PHOSPHATE ION[5 atoms] A 100.0
/100.0 5
/5 R1A_SARS2 Papain-like protease nsp3

7ofu[3] G PO4
PHOSPHATE ION[5 atoms] A 100.0
/100.0 5
/5 R1A_SARS2 Papain-like protease nsp3

7ofu[3] H PO4
PHOSPHATE ION[5 atoms] A 100.0
/100.0 2
/2 R1A_SARS2 Papain-like protease nsp3

7ofu[6] I PO4
PHOSPHATE ION[5 atoms] A 100.0
/100.0 1
/1 R1A_SARS2 Papain-like protease nsp3

7qch[3] G PO4
PHOSPHATE ION[5 atoms] A 100.0
/100.0 2
/2 R1A_SARS2 Papain-like protease nsp3

7qci[1] I PO4
PHOSPHATE ION[5 atoms] A 100.0
/100.0 1
/1 R1A_SARS2 Papain-like protease nsp3

7qcj[2] J PO4
PHOSPHATE ION[5 atoms] A 100.0
/100.0 1
/1 R1A_SARS2 Papain-like protease nsp3

7qcj[1] K PO4
PHOSPHATE ION[5 atoms] A 100.0
/100.0 4
/4 R1A_SARS2 Papain-like protease nsp3

8fwn[1] B PO4
PHOSPHATE ION[5 atoms] A 83.3
/99.7 6
/6 R1AB_SARS2 Papain-like protease nsp3

6wrh[13] H GOL
GLYCEROL[6 atoms] A 100.0
/99.7 3
/3 R1AB_SARS2 Non-structural protein 3

6wrh[4] I GOL
GLYCEROL[6 atoms] A 100.0
/99.7 6
/6 R1AB_SARS2 Non-structural protein 3

6xa9[5] G GOL
GLYCEROL[6 atoms] A 100.0
/100.0 5
/5 R1AB_SARS2 Non-structural protein 3

6xa9[3] H GOL
GLYCEROL[6 atoms] A 100.0
/100.0 3
/3 R1AB_SARS2 Non-structural protein 3

6xa9[23] I GOL
GLYCEROL[6 atoms] A 100.0
/100.0 5
/5 R1AB_SARS2 Non-structural protein 3

6xa9[1] P GOL
GLYCEROL[6 atoms] E 100.0
/100.0 2
/2 R1AB_SARS2 Non-structural protein 3

6xbi[1] E GOL
GLYCEROL[6 atoms] A 100.0
/100.0 4
/4 R1AB_SARS2 3C-like proteinase

7cuu[1] H GOL
GLYCEROL[6 atoms] A 100.0
/100.0 1
/1 R1AB_SARS2 3C protein

7cuu[1] F GOL
GLYCEROL[6 atoms] B 100.0
/100.0 2
/2 R1AB_SARS2 3C protein

7cuu[1] G GOL
GLYCEROL[6 atoms] B 100.0
/100.0 6
/6 R1AB_SARS2 3C protein

7dpu[1] E GOL
GLYCEROL[6 atoms] B 100.0
/100.0 4
/4 R1A_SARS2 3C-like proteinase

7lbr[2] G GOL
GLYCEROL[6 atoms] A 100.0
/100.0 3
/3 R1A_SARS2 Non-structural protein 3

7lbr[2] L GOL
GLYCEROL[6 atoms] B 100.0
/100.0 4
/4 R1A_SARS2 Non-structural protein 3

7lbs[1] M GOL
GLYCEROL[6 atoms] B 100.0
/100.0 6
/6 R1A_SARS2 Non-structural protein 3

7lbs[1] N GOL
GLYCEROL[6 atoms] B 100.0
/100.0 6
/6 R1A_SARS2 Non-structural protein 3

7nfv[2] C GOL
GLYCEROL[6 atoms] A 100.0
/100.0 6
/6 R1A_SARS2 Papain-like protease nsp3

7qcg[1] C GOL
GLYCEROL[6 atoms] A 100.0
/100.0 3
/3 R1A_SARS2 Papain-like protease nsp3

7qcj[3] D GOL
GLYCEROL[6 atoms] A 100.0
/100.0 3
/3 R1A_SARS2 Papain-like protease nsp3

7rn1[2] E GOL
GLYCEROL[6 atoms] A 100.0
/100.0 5
/5 R1AB_SARS2 3C-like proteinase

8fwn[2] C GOL
GLYCEROL[6 atoms] A 100.0
/99.7 6
/6 R1AB_SARS2 Papain-like protease nsp3

6xb2[316] D DMS
DIMETHYL SULFOXIDE[4 atoms] A 100.0
/100.0 5
/5 R1AB_SARS2 3C-like proteinase

6xb2[600] D DMS
DIMETHYL SULFOXIDE[4 atoms] A 100.0
/100.0 2
/2 R1AB_SARS2 3C-like proteinase

6ynq[61] C DMS
DIMETHYL SULFOXIDE[4 atoms] A 100.0
/100.0 2
/2 R1AB_SARS2 3C-like proteinase

6yvf[10] G DMS
DIMETHYL SULFOXIDE[4 atoms] A 100.0
/100.0 1
/1 R1AB_SARS2 3C-like proteinase

7a1u[8] D DMS
DIMETHYL SULFOXIDE[4 atoms] A 100.0
/100.0 4
/4 R1AB_SARS2 3C-like proteinase

7abu[2] I DMS
DIMETHYL SULFOXIDE[4 atoms] A 100.0
/100.0 2
/2 R1AB_SARS2 3C-like proteinase

7aeg[23] D DMS
DIMETHYL SULFOXIDE[4 atoms] A 100.0
/100.0 2
/2 R1AB_SARS2 3C-like proteinase

7aga[13] J DMS
DIMETHYL SULFOXIDE[4 atoms] A 100.0
/100.0 4
/4 R1AB_SARS2 3C-like proteinase

7aga[22] K DMS
DIMETHYL SULFOXIDE[4 atoms] A 100.0
/100.0 3
/3 R1AB_SARS2 3C-like proteinase

7ax6[2] C DMS
DIMETHYL SULFOXIDE[4 atoms] A 100.0
/100.0 3
/3 R1AB_SARS2 3C-like proteinase

7ax6[2] D DMS
DIMETHYL SULFOXIDE[4 atoms] A 100.0
/100.0 4
/4 R1AB_SARS2 3C-like proteinase

7b5z[5] G DMS
DIMETHYL SULFOXIDE[4 atoms] A 100.0
/100.0 5
/5 R1AB_SARS2 3C-like proteinase nsp5

7b5z[2] H DMS
DIMETHYL SULFOXIDE[4 atoms] A 100.0
/100.0 3
/3 R1AB_SARS2 3C-like proteinase nsp5

7buy[19] E DMS
DIMETHYL SULFOXIDE[4 atoms] A 100.0
/100.0 2
/2 R1AB_SARS2 3C-like proteinase

7cuu[1] C DMS
DIMETHYL SULFOXIDE[4 atoms] A 100.0
/100.0 4
/4 R1AB_SARS2 3C protein

7gav[5] N DMS
DIMETHYL SULFOXIDE[4 atoms] B 100.0
/100.0 5
/5 R1AB_SARS2 3C-like proteinase

7ghz[3] M DMS
DIMETHYL SULFOXIDE[4 atoms] A 100.0
/100.0 3
/3 R1AB_SARS2 3C-like proteinase

7gif[16] P DMS
DIMETHYL SULFOXIDE[4 atoms] B 100.0
/100.0 3
/3 R1AB_SARS2 3C-like proteinase

7grh[1] S DMS
DIMETHYL SULFOXIDE[4 atoms] B 100.0
/100.0 3
/3 R1AB_SARS2 3C-like proteinase nsp5

7grh[2] V DMS
DIMETHYL SULFOXIDE[4 atoms] B 100.0
/100.0 2
/2 R1AB_SARS2 3C-like proteinase nsp5

7mhl[2] C DMS
DIMETHYL SULFOXIDE[4 atoms] A 100.0
/100.0 1
/1 R1AB_SARS2 3C-like proteinase

7mhl[2] E DMS
DIMETHYL SULFOXIDE[4 atoms] A 100.0
/100.0 4
/4 R1AB_SARS2 3C-like proteinase

7a1u[2] H IMD
IMIDAZOLE[5 atoms] A 100.0
/100.0 4
/4 R1AB_SARS2 3C-like proteinase

7a1u[2] I IMD
IMIDAZOLE[5 atoms] A 100.0
/100.0 3
/3 R1AB_SARS2 3C-like proteinase

7abu[4] C IMD
IMIDAZOLE[5 atoms] A 100.0
/100.0 3
/3 R1AB_SARS2 3C-like proteinase

7aqi[2] E IMD
IMIDAZOLE[5 atoms] A 100.0
/100.0 4
/4 R1AB_SARS2 3C-like proteinase

7aqi[2] E IMD
IMIDAZOLE[5 atoms] A 100.0
/100.0 1
/1 R1AB_SARS2 3C-like proteinase

7ax6[2] E IMD
IMIDAZOLE[5 atoms] A 100.0
/100.0 7
/7 R1AB_SARS2 3C-like proteinase

7axm[4] G IMD
IMIDAZOLE[5 atoms] A 100.0
/100.0 2
/2 R1AB_SARS2 3C-like proteinase

7bb2[15] C EDO
1,2-ETHANEDIOL[4 atoms] A 100.0
/100.0 6
/6 R1AB_SARS2 3C-like proteinase

7bb2[3] G EDO
1,2-ETHANEDIOL[4 atoms] A 100.0
/100.0 3
/3 R1AB_SARS2 3C-like proteinase

7bb2[4] H EDO
1,2-ETHANEDIOL[4 atoms] A 100.0
/100.0 5
/5 R1AB_SARS2 3C-like proteinase

7bb2[1] I EDO
1,2-ETHANEDIOL[4 atoms] A 100.0
/100.0 8
/8 R1AB_SARS2 3C-like proteinase

7bb2[1] J EDO
1,2-ETHANEDIOL[4 atoms] A 100.0
/100.0 3
/3 R1AB_SARS2 3C-like proteinase

7bb2[13] K EDO
1,2-ETHANEDIOL[4 atoms] A 100.0
/100.0 2
/2 R1AB_SARS2 3C-like proteinase

7bfb[1] M EDO
1,2-ETHANEDIOL[4 atoms] B 100.0
/100.0 4
/4 R1AB_SARS2 Main Protease

7d7k[4] E EDO
1,2-ETHANEDIOL[4 atoms] A 100.0
/99.7 4
/4 R1AB_SARS2 Non-structural protein 3

7d7k[1] F EDO
1,2-ETHANEDIOL[4 atoms] A 100.0
/99.7 2
/2 R1AB_SARS2 Non-structural protein 3

7d7k[1] I EDO
1,2-ETHANEDIOL[4 atoms] A 100.0
/99.7 2
/2 R1AB_SARS2 Non-structural protein 3

7d7k[1] J EDO
1,2-ETHANEDIOL[4 atoms] A 100.0
/99.7 2
/2 R1AB_SARS2 Non-structural protein 3

7d7k[1] K EDO
1,2-ETHANEDIOL[4 atoms] A 100.0
/99.7 1
/1 R1AB_SARS2 Non-structural protein 3

7d7k[1] Q EDO
1,2-ETHANEDIOL[4 atoms] B 100.0
/99.7 6
/6 R1AB_SARS2 Non-structural protein 3

7d7k[1] R EDO
1,2-ETHANEDIOL[4 atoms] B 100.0
/99.7 3
/3 R1AB_SARS2 Non-structural protein 3

7d7k[1] T EDO
1,2-ETHANEDIOL[4 atoms] B 100.0
/99.7 3
/3 R1AB_SARS2 Non-structural protein 3

7nt4[13] F EDO
1,2-ETHANEDIOL[4 atoms] A 100.0
/100.0 11
/11 R1AB_SARS2 Non-structural protein 3

7nt4[1] H EDO
1,2-ETHANEDIOL[4 atoms] A 100.0
/100.0 3
/3 R1AB_SARS2 Non-structural protein 3

7nt4[1] I EDO
1,2-ETHANEDIOL[4 atoms] A 100.0
/100.0 6
/6 R1AB_SARS2 Non-structural protein 3

7nt4[1] P EDO
1,2-ETHANEDIOL[4 atoms] B 100.0
/100.0 3
/3 R1AB_SARS2 Non-structural protein 3

7nt4[8] Q EDO
1,2-ETHANEDIOL[4 atoms] B 100.0
/100.0 7
/7 R1AB_SARS2 Non-structural protein 3

7nt4[1] R EDO
1,2-ETHANEDIOL[4 atoms] B 100.0
/100.0 4
/4 R1AB_SARS2 Non-structural protein 3

7q5f[1] E EDO
1,2-ETHANEDIOL[4 atoms] A 100.0
/100.0 3
/3 R1AB_SARS2 3C-like proteinase

7rzc[2] O EDO
1,2-ETHANEDIOL[4 atoms] B 100.0
/100.0 5
/5 R1A_SARS2 Non-structural protein 3

7uv5[1] G EDO
1,2-ETHANEDIOL[4 atoms] A 100.0
/99.4 5
/5 R1A_SARS2 Papain-like protease nsp3

8okk[2] F EDO
1,2-ETHANEDIOL[4 atoms] B 100.0
/100.0 1
/1 R1AB_SARS2 3C-like proteinase nsp5

8okk[1] V EDO
1,2-ETHANEDIOL[4 atoms] B 100.0
/100.0 2
/2 R1AB_SARS2 3C-like proteinase nsp5

8okn[1] J EDO
1,2-ETHANEDIOL[4 atoms] B 100.0
/100.0 2
/2 R1AB_SARS2 3C-like proteinase nsp5

8p58[1] D EDO
1,2-ETHANEDIOL[4 atoms] A 100.0
/100.0 5
/5 R1AB_SARS2 3C-like proteinase nsp5

7jir[5] K MES
2-(N-MORPHOLINO)-ETHANESULFONIC ACID[12 atoms] A 100.0
/99.7 3
/3 R1A_SARS2 Papain-like protease

7kol[1] K MES
2-(N-MORPHOLINO)-ETHANESULFONIC ACID[12 atoms] A 100.0
/100.0 6
/6 R1A_SARS2 Papain-like protease

7jir[6] L ACT
ACETATE ION[4 atoms] A 85.7
/99.7 7
/7 R1A_SARS2 Papain-like protease

7jit[2] L ACT
ACETATE ION[4 atoms] A 100.0
/99.7 5
/5 R1A_SARS2 Papain-like protease

7jn2[2] L ACT
ACETATE ION[4 atoms] A 100.0
/100.0 2
/2 R1A_SARS2 Papain-like protease

8fwn[1] G ACT
ACETATE ION[4 atoms] A 100.0
/99.7 4
/4 R1AB_SARS2 Papain-like protease nsp3

8g62[3] J ACT
ACETATE ION[4 atoms] A 100.0
/100.0 3
/3 R1A_SARS2 Non-structural protein 3

8g62[2] K ACT
ACETATE ION[4 atoms] A 100.0
/100.0 6
/6 R1A_SARS2 Non-structural protein 3

8g62[1] L ACT
ACETATE ION[4 atoms] A 100.0
/100.0 4
/4 R1A_SARS2 Non-structural protein 3

8okk[2] P ACT
ACETATE ION[4 atoms] B 100.0
/100.0 4
/4 R1AB_SARS2 3C-like proteinase nsp5

8okk[1] Q ACT
ACETATE ION[4 atoms] B 100.0
/100.0 2
/2 R1AB_SARS2 3C-like proteinase nsp5

8okk[2] T ACT
ACETATE ION[4 atoms] B 100.0
/100.0 7
/7 R1AB_SARS2 3C-like proteinase nsp5

8uuf[1] C ACT
ACETATE ION[4 atoms] A 100.0
/100.0 1
/1 R1A_SARS2 Papain-like protease nsp3

8uug[2] D ACT
ACETATE ION[4 atoms] A 100.0
/100.0 3
/3 R1AB_SARS2 Papain-like protease nsp3

7lbs[2] F BO3
BORIC ACID[4 atoms] A 100.0
/100.0 4
/4 R1A_SARS2 Non-structural protein 3

7lbs[2] G BO3
BORIC ACID[4 atoms] A 100.0
/100.0 7
/7 R1A_SARS2 Non-structural protein 3

7lbs[1] I BO3
BORIC ACID[4 atoms] A 100.0
/100.0 10
/10 R1A_SARS2 Non-structural protein 3

7lbs[1] O BO3
BORIC ACID[4 atoms] B 100.0
/100.0 2
/2 R1A_SARS2 Non-structural protein 3

7m1y[1] M FMT
FORMIC ACID[3 atoms] A 100.0
/99.7 3
/3 R1A_SARS2 Papain-like protease

7m1y[2] N FMT
FORMIC ACID[3 atoms] A 100.0
/99.7 3
/3 R1A_SARS2 Papain-like protease

7m1y[1] O FMT
FORMIC ACID[3 atoms] A 100.0
/99.7 4
/4 R1A_SARS2 Papain-like protease

7m1y[1] BA FMT
FORMIC ACID[3 atoms] B 100.0
/99.7 4
/4 R1A_SARS2 Papain-like protease

7ntt[1] D FMT
FORMIC ACID[3 atoms] B 100.0
/100.0 5
/5 R1A_SARS2 3C-like proteinase

7sgu[1] G FMT
FORMIC ACID[3 atoms] A 100.0
/99.7 3
/3 R1A_SARS2 Papain-like protease

8okk[1] I FMT
FORMIC ACID[3 atoms] B 100.0
/100.0 1
/1 R1AB_SARS2 3C-like proteinase nsp5

8okk[1] U FMT
FORMIC ACID[3 atoms] B 100.0
/100.0 2
/2 R1AB_SARS2 3C-like proteinase nsp5

8okl[1] F FMT
FORMIC ACID[3 atoms] B 100.0
/100.0 3
/3 R1AB_SARS2 3C-like proteinase nsp5

8okk[3] S MPD
(4S)-2-METHYL-2,4-PENTANEDIOL[8 atoms] B 100.0
/100.0 4
/4 R1AB_SARS2 3C-like proteinase nsp5

8r14[1] D PGE
TRIETHYLENE GLYCOL[10 atoms] A 100.0
/100.0 3
/3 R1A_SARS2 3C-like proteinase

8uuy[1] D PGE
TRIETHYLENE GLYCOL[10 atoms] A 100.0
/100.0 1
/1 R1A_SARS2 Papain-like protease nsp3

7d7k[4] L SO4
SULFATE ION[5 atoms] A 100.0
/99.7 5
/5 R1AB_SARS2 Non-structural protein 3

7d7k[6] M SO4
SULFATE ION[5 atoms] A 100.0
/99.7 2
/2 R1AB_SARS2 Non-structural protein 3

7d7k[2] N SO4
SULFATE ION[5 atoms] A 100.0
/99.7 2
/2 R1AB_SARS2 Non-structural protein 3

7d7k[1] W SO4
SULFATE ION[5 atoms] B 100.0
/99.7 3
/3 R1AB_SARS2 Non-structural protein 3

7d7l[1] J SO4
SULFATE ION[5 atoms] A 100.0
/99.7 3
/3 R1AB_SARS2 Non-structural protein 3

7d7l[1] K SO4
SULFATE ION[5 atoms] A 100.0
/99.7 4
/4 R1AB_SARS2 Non-structural protein 3

7d7l[1] V SO4
SULFATE ION[5 atoms] B 100.0
/99.7 2
/2 R1AB_SARS2 Non-structural protein 3

7gs6[1] L SO4
SULFATE ION[5 atoms] B 100.0
/100.0 8
/8 R1AB_SARS2 3C-like proteinase nsp5

7jrn[1] E SO4
SULFATE ION[5 atoms] A 100.0
/100.0 2
/2 R1A_SARS2 Non-structural protein 3

7jrn[4] F SO4
SULFATE ION[5 atoms] A 100.0
/100.0 2
/2 R1A_SARS2 Non-structural protein 3

7jrn[10] I SO4
SULFATE ION[5 atoms] B 100.0
/100.0 3
/3 R1A_SARS2 Non-structural protein 3

7jrn[1] J SO4
SULFATE ION[5 atoms] B 100.0
/100.0 5
/5 R1A_SARS2 Non-structural protein 3

7lbr[10] D SO4
SULFATE ION[5 atoms] A 100.0
/100.0 5
/5 R1A_SARS2 Non-structural protein 3

7lbs[1] H SO4
SULFATE ION[5 atoms] A 100.0
/100.0 4
/4 R1A_SARS2 Non-structural protein 3

7llf[2] H SO4
SULFATE ION[5 atoms] A 100.0
/100.0 1
/1 R1A_SARS2 Non-structural protein 3

7llz[1] G SO4
SULFATE ION[5 atoms] A 100.0
/100.0 2
/2 R1A_SARS2 Non-structural protein 3

7llz[3] L SO4
SULFATE ION[5 atoms] B 100.0
/100.0 5
/5 R1A_SARS2 Non-structural protein 3

7nt4[1] K SO4
SULFATE ION[5 atoms] A 100.0
/100.0 4
/4 R1AB_SARS2 Non-structural protein 3

7nt4[1] T SO4
SULFATE ION[5 atoms] B 100.0
/100.0 3
/3 R1AB_SARS2 Non-structural protein 3

7nt4[1] U SO4
SULFATE ION[5 atoms] B 100.0
/100.0 2
/2 R1AB_SARS2 Non-structural protein 3

7q5f[6] D SO4
SULFATE ION[5 atoms] A 100.0
/100.0 2
/2 R1AB_SARS2 3C-like proteinase

8eua[1] F SO4
SULFATE ION[5 atoms] A 100.0
/100.0 2
/2 R1AB_SARS2 Papain-like protease nsp3

8uvm[4] F SO4
SULFATE ION[5 atoms] A 100.0
/100.0 5
/5 R1AB_SARS2 Papain-like protease nsp3

9brx[1] D SO4
SULFATE ION[5 atoms] A 100.0
/99.7 6
/6 R1A_SARS2 Papain-like protease nsp3

7mpb[1] F ETF
TRIFLUOROETHANOL[6 atoms] B 100.0
/99.7 5
/5 R1AB_SARS2 3C-like proteinase

6yvf[2] I PEG
DI(HYDROXYETHYL)ETHER[7 atoms] A 100.0
/100.0 4
/4 R1AB_SARS2 3C-like proteinase

6yvf[2] J PEG
DI(HYDROXYETHYL)ETHER[7 atoms] A 100.0
/100.0 2
/2 R1AB_SARS2 3C-like proteinase

6yvf[2] K PEG
DI(HYDROXYETHYL)ETHER[6 atoms] A 100.0
/100.0 1
/1 R1AB_SARS2 3C-like proteinase

7ay7[4] H PEG
DI(HYDROXYETHYL)ETHER[7 atoms] A 100.0
/100.0 2
/2 R1AB_SARS2 3C-like proteinase

8uh5[4] C PEG
DI(HYDROXYETHYL)ETHER[7 atoms] A 100.0
/100.0 4
/4 R1AB_SARS2 3C-like proteinase nsp5

8uuh[1] C PEG
DI(HYDROXYETHYL)ETHER[7 atoms] A 100.0
/100.0 3
/3 R1A_SARS2 Papain-like protease nsp3

8uuh[2] D PEG
DI(HYDROXYETHYL)ETHER[7 atoms] A 100.0
/100.0 3
/3 R1A_SARS2 Papain-like protease nsp3

7ybg[1] B DTT
2,3-DIHYDROXY-1,4-DITHIOBUTANE[8 atoms] A 100.0
/99.1 9
/9 R1A_SARS2 Papain-like protease nsp3

3.a³:asym_id for the contact molecule. 4.a⁴:asym_id for the template homologue. 5.identity[%]⁵:sequence identity between the query and the template homologue only for the contact residues. Number after the slash / is sequence identity for all the aligned region. 6.Ncon⁶:number of aligned contact residues for the query. Number after the slash / is number of contact residues in the template homologue.

MONOMER
4405
	pdb_id	a¹	identity[%]²	description
	8yax	A	100.0	R1AB_SARS2 Papain-like protease nsp3
	7msw	A	100.0	R1AB_SARS2 Non-structural protein 2
	8yb7	C	100.0	R1AB_SARS2 Non-structural protein 4
	6xbi	A	100.0	R1AB_SARS2 3C-like proteinase
	1.a¹:asym_id for the homologue. 2.identity[%]²:sequence identity between the query and the homologue.

Contact Molecules for Homologous Proteins

Summary Bars[0.0 %]

UniProt Feature Tables [P0DTC1(R1A_SARS2)]