Contact Molecules for Homologous Proteins


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PID QueryLength Homolgous Sequence in PDB UniProt Query TITLE
3753809 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
7msw A 100.0 R1AB_SARS2 Non-structural protein 2
6wuu B 98.8 R1AB_SARS2 Non-structural protein 3
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
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
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[3] 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
6xr3[2] B V7G
N-[(2S)-1-({(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hy..
A 100.0
/100.0
18
/18
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
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
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
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
7b77[2] F T0W
2-(benzotriazol-1-yl)-~{N}-ethyl-~{N}-(furan-3-ylm..
A 100.0
/100.0
13
/13
R1AB_SARS2 3C-like proteinase nsp5
7be7[4] N ALD
N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S)-1-hydroxy..
B 100.0
/100.0
16
/16
R1AB_SARS2 3C-like proteinase
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
7d3i[2] B GQU
(3~{S},3~{a}~{S},6~{a}~{R})-2-[3-[3,5-bis(fluorany..
A 100.0
/100.0
19
/19
R1A_SARS2 3C-like proteinase
7d3i[2] B GQU
(3~{S},3~{a}~{S},6~{a}~{R})-2-[3-[3,5-bis(fluorany..
A 100.0
/100.0
1
/1
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
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
7e6k[2] B HYR
N-(2-phenoxyethyl)methanethioamide[12 atoms]
A 100.0
/100.0
6
/6
R1AB_SARS2 3C-like proteinase
7e6k[2] C HYR
N-(2-phenoxyethyl)methanethioamide[12 atoms]
A 100.0
/100.0
11
/11
R1AB_SARS2 3C-like proteinase
7e6k[2] D HYR
N-(2-phenoxyethyl)methanethioamide[12 atoms]
A 100.0
/100.0
5
/5
R1AB_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[1] 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
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
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
7ghs[1] N OVX
1-(3-chlorophenyl)-4-(isoquinoline-4-carbonyl)pipe..
B 100.0
/100.0
15
/15
R1AB_SARS2 3C-like proteinase
7ghw[1] S P3L
(4R)-6-chloro-N-[(4R)-2-oxopiperidin-4-yl]-3,4-dih..
B 100.0
/100.0
14
/14
R1AB_SARS2 3C-like proteinase
7ghz[1] 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
7gi6[1] 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
7gi8[1] R QDF
(4R)-6-chloro-N-(isoquinolin-4-yl)-2-oxo-1,2,3,4-t..
B 100.0
/100.0
14
/14
R1AB_SARS2 3C-like proteinase
7gib[1] M QER
2-(3-fluorophenyl)-N-(isoquinolin-4-yl)acetamide[2..
B 100.0
/100.0
14
/14
R1AB_SARS2 3C-like proteinase
7gih[2] 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
7gj1[1] N QJR
2-(3,4-dichlorophenyl)-N-(2,7-naphthyridin-4-yl)ac..
B 100.0
/100.0
14
/14
R1AB_SARS2 3C-like proteinase
7gj4[1] F QKB
(4R)-6-chloro-N-(6-fluoroisoquinolin-4-yl)-3,4-dih..
B 100.0
/100.0
1
/1
R1AB_SARS2 3C-like proteinase
7gj7[1] N Q0I
(4R)-6-chloro-N-(isoquinolin-4-yl)-N-propanoyl-3,4..
B 100.0
/100.0
14
/14
R1AB_SARS2 3C-like proteinase
7gj8[1] K QKR
2-(3,4-dichlorophenyl)-2,2-difluoro-N-(isoquinolin..
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
7gje[1] M QML
(3S)-5-chloro-N-(isoquinolin-4-yl)-N-propanoyl-2,3..
B 100.0
/100.0
14
/14
R1AB_SARS2 3C-like proteinase
7gjf[1] F QMX
(4R)-6-chloro-N-(isoquinolin-4-yl)-4-({[(1-methyl-..
A 100.0
/100.0
17
/17
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
7gkn[1] Q QYI
(4S)-6-chloro-N-(6-fluoroisoquinolin-4-yl)-4-metho..
B 100.0
/100.0
14
/14
R1AB_SARS2 3C-like proteinase
7gko[1] M QYN
(4S)-6-chloro-2-(1H-imidazole-2-sulfonyl)-N-(isoqu..
B 100.0
/100.0
14
/14
R1AB_SARS2 3C-like proteinase
7gkr[1] O QZC
(4S)-6-chloro-2-(dimethylsulfamoyl)-N-(isoquinolin..
B 100.0
/100.0
14
/14
R1AB_SARS2 3C-like proteinase
7gl8[1] I KG9
(4S)-6-chloro-2-[(1-cyanocyclopropyl)methanesulfon..
A 100.0
/100.0
15
/15
R1AB_SARS2 3C-like proteinase
7gl9[1] M QM3
(1'P,3'S)-6-chloro-1'-(isoquinolin-4-yl)-2,3-dihyd..
B 100.0
/100.0
14
/14
R1AB_SARS2 3C-like proteinase
7glb[1] I R76
(4S)-6-chloro-N-(isoquinolin-4-yl)-2-[2-(methylami..
A 100.0
/100.0
14
/14
R1AB_SARS2 3C-like proteinase
7gld[1] H R8I
(4S)-6-chloro-2-{2-[(cyanomethyl)amino]-2-oxoethyl..
A 100.0
/100.0
15
/15
R1AB_SARS2 3C-like proteinase
7gle[1] H R8O
(4S)-6-chloro-2-[2-(cyclopropylamino)-2-oxoethyl]-..
A 100.0
/100.0
13
/13
R1AB_SARS2 3C-like proteinase
7glh[1] I R9E
2-(3-chlorophenyl)-N-(7-fluoro-6-methoxyisoquinoli..
A 100.0
/100.0
13
/13
R1AB_SARS2 3C-like proteinase
7glj[1] I R9R
(4S)-6-chloro-N-(isoquinolin-4-yl)-2-[(3-methyl-1,..
A 100.0
/100.0
15
/15
R1AB_SARS2 3C-like proteinase
7gll[1] H RAQ
(4S)-6-chloro-N-(isoquinolin-4-yl)-2-[(oxan-4-yl)m..
A 100.0
/100.0
13
/13
R1AB_SARS2 3C-like proteinase
7gll[1] L RAQ
(4S)-6-chloro-N-(isoquinolin-4-yl)-2-[(oxan-4-yl)m..
A 100.0
/100.0
1
/1
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
7gls[1] I OE6
N-(1H-benzotriazol-1-yl)-2-(3-chlorophenyl)acetami..
A 100.0
/100.0
13
/13
R1AB_SARS2 3C-like proteinase
7glu[1] J RD5
2-(5-chloro-2-{[(methanesulfonyl)amino]methyl}phen..
A 100.0
/100.0
14
/14
R1AB_SARS2 3C-like proteinase
7glw[1] K RDK
(4S)-6-chloro-N-(isoquinolin-4-yl)-4-methyl-1,1-di..
A 100.0
/100.0
14
/14
R1AB_SARS2 3C-like proteinase
7gm0[1] I RFF
(4S)-6-chloro-2-[(1-cyanocyclopropyl)methanesulfon..
A 100.0
/100.0
16
/16
R1AB_SARS2 3C-like proteinase
7gm1[1] I RFR
(4S)-6-chloro-N-{6-[(methanesulfonyl)amino]isoquin..
A 100.0
/100.0
14
/14
R1AB_SARS2 3C-like proteinase
7gm5[1] I RGX
(4S)-6-chloro-2-(cyclopropylsulfamoyl)-N-(isoquino..
A 100.0
/100.0
13
/13
R1AB_SARS2 3C-like proteinase
7gm7[1] I RI1
(4S)-6-chloro-N-(isoquinolin-4-yl)-1,1-dioxo-1,2,3..
A 100.0
/100.0
14
/14
R1AB_SARS2 3C-like proteinase
7gme[1] I RJ3
4-[2-(3-chlorophenyl)acetamido]isoquinoline-7-carb..
A 100.0
/100.0
13
/13
R1AB_SARS2 3C-like proteinase
7gme[1] O RJ3
4-[2-(3-chlorophenyl)acetamido]isoquinoline-7-carb..
A 100.0
/100.0
1
/1
R1AB_SARS2 3C-like proteinase
7gmg[1] I RJO
(4S)-6-chloro-N-(6-fluoroisoquinolin-4-yl)-2-[2-(m..
A 100.0
/100.0
14
/14
R1AB_SARS2 3C-like proteinase
7gmi[1] I RK6
4-[2-(3-chlorophenyl)acetamido]-N-methylisoquinoli..
A 100.0
/100.0
13
/13
R1AB_SARS2 3C-like proteinase
7gmi[1] O RK6
4-[2-(3-chlorophenyl)acetamido]-N-methylisoquinoli..
A 100.0
/100.0
1
/1
R1AB_SARS2 3C-like proteinase
7gml[1] J RL0
2-(3-chlorophenyl)-N-{6-[(methanesulfonyl)(methyl)..
A 100.0
/100.0
14
/14
R1AB_SARS2 3C-like proteinase
7gmm[1] J RL8
4-[2-(3-chlorophenyl)acetamido]-N-methylisoquinoli..
A 100.0
/100.0
13
/13
R1AB_SARS2 3C-like proteinase
7gmp[1] I RM3
2-(3-chlorophenyl)-N-[7-(dimethylamino)isoquinolin..
A 100.0
/100.0
14
/14
R1AB_SARS2 3C-like proteinase
7gms[1] I RNI
(4S)-6-chloro-2-[(1-cyanocyclopropyl)methanesulfon..
A 100.0
/100.0
16
/16
R1AB_SARS2 3C-like proteinase
7gmu[1] I RPK
N-(6-acetamidoisoquinolin-4-yl)-2-(3-chlorophenyl)..
A 100.0
/100.0
13
/13
R1AB_SARS2 3C-like proteinase
7gmx[1] I RQO
4-[2-(3-chlorophenyl)acetamido]-N,N-dimethylisoqui..
A 100.0
/100.0
13
/13
R1AB_SARS2 3C-like proteinase
7gn0[1] I RRD
(4S)-6-chloro-N-(isoquinolin-4-yl)-2-{2-[(oxetan-3..
A 100.0
/100.0
14
/14
R1AB_SARS2 3C-like proteinase
7gn1[1] I RRU
1-{[(3'S)-6-chloro-1'-(isoquinolin-4-yl)-2'-oxo-1H..
A 100.0
/100.0
16
/16
R1AB_SARS2 3C-like proteinase
7gn2[1] J RS6
(4S)-6-chloro-N-(7-fluoroisoquinolin-4-yl)-1-oxo-2..
A 100.0
/100.0
14
/14
R1AB_SARS2 3C-like proteinase
7gn3[1] I RSL
4-[2-(3-chlorophenyl)acetamido]isoquinolin-7-yl me..
A 100.0
/100.0
15
/15
R1AB_SARS2 3C-like proteinase
7gn5[1] N RT9
(4S)-6-chloro-N-(isoquinolin-4-yl)-2-[(1-methoxycy..
B 100.0
/100.0
16
/16
R1AB_SARS2 3C-like proteinase
7gn6[1] H RTS
(4S)-6-chloro-N-(isoquinolin-4-yl)-4-methyl-2-[2-(..
A 100.0
/100.0
13
/13
R1AB_SARS2 3C-like proteinase
7gn9[2] H RVL
(4S)-6-chloro-N-(isoquinolin-4-yl)-2-[1-(methylcar..
A 100.0
/100.0
13
/13
R1AB_SARS2 3C-like proteinase
7gn9[1] O RVL
(4S)-6-chloro-N-(isoquinolin-4-yl)-2-[1-(methylcar..
A 100.0
/100.0
1
/1
R1AB_SARS2 3C-like proteinase
7gnc[2] J RW9
2-[(3'S)-6-chloro-1'-(isoquinolin-4-yl)-1,2'-dioxo..
A 100.0
/100.0
14
/14
R1AB_SARS2 3C-like proteinase
7gnd[1] J RVR
(4S)-6-chloro-1,1-dioxo-N-(5,6,7,8-tetrahydroisoqu..
A 100.0
/100.0
14
/14
R1AB_SARS2 3C-like proteinase
7gng[2] J RXU
2-[(3'S)-6-chloro-2'-oxo-1'-(5,6,7,8-tetrahydroiso..
A 100.0
/100.0
13
/13
R1AB_SARS2 3C-like proteinase
7gng[1] Q RXU
2-[(3'S)-6-chloro-2'-oxo-1'-(5,6,7,8-tetrahydroiso..
A 100.0
/100.0
1
/1
R1AB_SARS2 3C-like proteinase
7gnj[4] 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[2] I S1U
(4S)-6-chloro-2-{2-[4-(4-ethylpiperazin-1-yl)anili..
A 100.0
/100.0
16
/16
R1AB_SARS2 3C-like proteinase
7gnl[2] N S1U
(4S)-6-chloro-2-{2-[4-(4-ethylpiperazin-1-yl)anili..
A 100.0
/100.0
2
/2
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
7grf[1] C XWZ
5-bromopyridin-3-amine[8 atoms]
B 100.0
/100.0
1
/1
R1AB_SARS2 3C-like proteinase nsp5
7grf[1] I XWZ
5-bromopyridin-3-amine[8 atoms]
B 100.0
/100.0
7
/7
R1AB_SARS2 3C-like proteinase nsp5
7grg[2] C Y2C
3,5-dichloropyridin-4-amine[9 atoms]
A 100.0
/100.0
7
/7
R1AB_SARS2 3C-like proteinase nsp5
7grg[2] 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
7grj[1] K Y1L
(5-chloro-1-benzothiophen-3-yl)methanol[12 atoms]
B 100.0
/100.0
8
/8
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
7gs0[1] D XZE
(pyridin-2-yl)(quinolin-2-yl)methanone[18 atoms]
B 100.0
/100.0
2
/2
R1AB_SARS2 3C-like proteinase nsp5
7gs3[1] D JAH
(6-phenylpyridin-3-yl)methanamine[14 atoms]
A 100.0
/100.0
5
/5
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
7l0d[2] B 0EN
N-[(1R)-2-(tert-butylamino)-2-oxo-1-(pyridin-3-yl)..
A 100.0
/100.0
17
/17
R1AB_SARS2 3C-like proteinase
7l11[2] 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
7l12[2] B XF4
(5S)-5-{3-[3-(benzyloxy)-5-chlorophenyl]-2-oxo[2H-..
A 100.0
/100.0
20
/20
R1AB_SARS2 3C-like proteinase
7l14[2] C XFD
2-{3-[3-chloro-5-(cyclopropylmethoxy)phenyl]-2-oxo..
A 100.0
/100.0
22
/22
R1AB_SARS2 3C-like proteinase
7l8i[4] C AG7
4-{2-(4-FLUORO-BENZYL)-6-METHYL-5-[(5-METHYL-ISOXA..
A 100.0
/100.0
19
/19
R1AB_SARS2 3C-like proteinase
7l8j[2] B AG7
4-{2-(4-FLUORO-BENZYL)-6-METHYL-5-[(5-METHYL-ISOXA..
A 100.0
/100.0
1
/1
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
7lme[1] C Y6J
~{N}-[4-[2-(benzotriazol-1-yl)ethanoyl-(thiophen-3..
B 100.0
/100.0
1
/1
R1AB_SARS2 3C-like proteinase
7lme[1] D Y6J
~{N}-[4-[2-(benzotriazol-1-yl)ethanoyl-(thiophen-3..
B 100.0
/100.0
18
/18
R1AB_SARS2 3C-like proteinase
7lmf[2] C Y6G
2-(benzotriazol-1-yl)-~{N}-[4-(1~{H}-imidazol-4-yl..
A 100.0
/100.0
17
/17
R1AB_SARS2 3C-like proteinase
7lmf[2] D Y6G
2-(benzotriazol-1-yl)-~{N}-[4-(1~{H}-imidazol-4-yl..
A 100.0
/100.0
1
/1
R1AB_SARS2 3C-like proteinase
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
7maw[2] C YVA
ethyl (4R)-4-({3-cyclopropyl-N-[(2E)-3-(4-ethynylp..
A 100.0
/100.0
22
/22
R1AB_SARS2 3C-like proteinase
7maw[2] D YVA
ethyl (4R)-4-({3-cyclopropyl-N-[(2E)-3-(4-ethynylp..
A 100.0
/100.0
1
/1
R1AB_SARS2 3C-like proteinase
7mb3[1] H YVV
N-{3-[(prop-2-yn-1-yl)oxy]propanoyl}-D-phenylalany..
C 100.0
/100.0
1
/1
R1AB_SARS2 3C-like proteinase
7mb3[1] I YVV
N-{3-[(prop-2-yn-1-yl)oxy]propanoyl}-D-phenylalany..
C 100.0
/100.0
20
/20
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[2] 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
7rbz[2] B 4IJ
5-chloropyridin-3-yl 2,3-dihydro-1H-indole-4-carbo..
A 100.0
/100.0
6
/6
R1AB_SARS2 3C-like proteinase
7rc0[2] B 4I9
5-chloro-4-methylpyridin-3-yl 1H-indole-4-carboxyl..
A 100.0
/100.0
6
/6
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
7rfs[21] 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
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
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[4] 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
7sf3[2] B 90H
(1R,2S,5S)-N-{(2S,3R)-3-hydroxy-4-(methylamino)-4-..
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[4] 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
7wym[2] B G7L
N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]..
A 100.0
/100.0
11
/11
R1A_SARS2 3C-like proteinase nsp5
7wyp[1] D G7O
N-(1,3-benzothiazol-2-ylmethyl)-N-cyclopropyl-prop..
B 100.0
/100.0
9
/9
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
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
8aiu[1] C M9X
tert-butyl N-[1-[(2S)-3-cyclopropyl-1-[[(2S,3R)-4-..
A 100.0
/100.0
20
/20
R1AB_SARS2 3C-like proteinase nsp5
8aiu[1] E M9X
tert-butyl N-[1-[(2S)-3-cyclopropyl-1-[[(2S,3R)-4-..
A 100.0
/100.0
1
/1
R1AB_SARS2 3C-like proteinase nsp5
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
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[4] E P5X
N-[(4-chlorothiophen-2-yl)methyl]-N-[4-(dimethylam..
A 100.0
/100.0
18
/18
R1AB_SARS2 3C-like proteinase
8cyz[4] E P6I
N-[(4-chlorothiophen-2-yl)methyl]-2-(isoquinolin-4..
A 100.0
/100.0
16
/16
R1AB_SARS2 3C-like proteinase
8cyz[3] G P6I
N-[(4-chlorothiophen-2-yl)methyl]-2-(isoquinolin-4..
A 100.0
/100.0
1
/1
R1AB_SARS2 3C-like proteinase
8cz4[4] E P6R
N-(4-tert-butylphenyl)-N-[(4-chlorothiophen-2-yl)m..
A 100.0
/100.0
19
/19
R1AB_SARS2 3C-like proteinase
8cz4[3] G P6R
N-(4-tert-butylphenyl)-N-[(4-chlorothiophen-2-yl)m..
A 100.0
/100.0
1
/1
R1AB_SARS2 3C-like proteinase
8cz7[4] E P7L
N-[(4-chlorothiophen-2-yl)methyl]-2-(isoquinolin-4..
A 100.0
/100.0
17
/17
R1AB_SARS2 3C-like proteinase
8d4p[2] B QAO
2-chloro-N-[(1R)-2-{[2-(3-fluorophenyl)ethyl]amino..
A 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
8dsu[1] H V2M
N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyr..
B 100.0
/100.0
18
/18
R1AB_SARS2 3C-like proteinase nsp5
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 OW1
Nirmatrelvir (reacted form)[35 atoms]
A 100.0
/100.0
21
/21
R1AB_SARS2 3C-like proteinase nsp5
8fy7[1] D YFK
4-methoxy-N-[(2S)-4-methyl-1-oxo-1-({(2S)-1-[(3S)-..
B 100.0
/100.0
18
/18
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
8ifr[2] B P0O
(1R,2S,5S)-3-[(2S)-2-(tert-butylcarbamoylamino)-3,..
A 100.0
/100.0
23
/23
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
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
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
8tpb[2] C JVX
N-[(1R)-2-(tert-butylamino)-2-oxo-1-(pyridin-3-yl)..
A 100.0
/100.0
15
/15
R1AB_SARS2 Non-structural protein 7
8tpc[2] B JJC
N-[(1R)-2-(benzylamino)-2-oxo-1-(pyridin-3-yl)ethy..
A 100.0
/100.0
11
/11
R1AB_SARS2 Non-structural protein 7
8tpd[2] B JJO
N-[(1R)-2-(benzylamino)-2-oxo-1-(pyridin-3-yl)ethy..
A 100.0
/100.0
12
/12
R1AB_SARS2 3C-like proteinase nsp5
8tpe[2] 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
8tpf[2] B JWI
N-(4-tert-butylphenyl)-N-[(1R)-2-(cyclohexylamino)..
A 100.0
/100.0
15
/15
R1AB_SARS2 Non-structural protein 7
8tpg[4] B JKL
(3R)-N-(4-tert-butylphenyl)-N-[(1R)-2-(cyclohexyla..
A 100.0
/100.0
15
/15
R1AB_SARS2 Non-structural protein 7
8tpi[2] B JWO
N-(4-tert-butylphenyl)-N-[(1R)-2-(cyclohexylamino)..
A 100.0
/100.0
14
/14
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
8upv[2] B X83
methyl {(2S)-1-[(1S,3aR,6aS)-1-{[(2R,3S,6R)-6-fluo..
A 100.0
/100.0
19
/19
R1AB_SARS2 3C-like proteinase nsp5
8upw[2] B X8F
methyl {(2S)-1-[(1S,3aR,6aS)-1-{[(2R,3S,6S)-6-fluo..
A 100.0
/100.0
18
/18
R1AB_SARS2 3C-like proteinase nsp5
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
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
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
7m1y[2] C 9JT
N-phenyl-2-selanylbenzamide[16 atoms]
A 100.0
/99.7
7
/7
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
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
8c9o[1] D O6K
~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclopropyl-1-oxi..
B 94.4
/99.7
18
/18
R1A_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
7ybg[1] C MLA
MALONIC ACID[7 atoms]
A 83.3
/99.1
6
/6
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
6w9c[83] 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[1] D ZN
ZINC ION[1 atoms]
A 100.0
/99.7
2
/2
R1AB_SARS2 Non-structural protein 3
7d6h[5] B ZN
ZINC ION[1 atoms]
A 100.0
/99.7
4
/4
R1A_SARS2 Papain-like protease
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[7] D ZN
ZINC ION[1 atoms]
A 100.0
/99.7
3
/3
R1A_SARS2 Papain-like protease
7jir[8] E ZN
ZINC ION[1 atoms]
A 100.0
/99.7
2
/2
R1A_SARS2 Papain-like protease
7jir[8] F ZN
ZINC ION[1 atoms]
A 100.0
/99.7
2
/2
R1A_SARS2 Papain-like protease
7jn2[2] G ZN
ZINC ION[1 atoms]
A 100.0
/100.0
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
6w9c[73] E CL
CHLORIDE ION[1 atoms]
A 100.0
/100.0
7
/7
R1A_SARS2 Non-structural protein 3
6wrh[25] 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[14] 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[3] 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
7avd[2] C CL
CHLORIDE ION[1 atoms]
A 100.0
/100.0
7
/7
R1AB_SARS2 3C-like proteinase
7bb2[54] L CL
CHLORIDE ION[1 atoms]
A 100.0
/100.0
3
/3
R1AB_SARS2 3C-like proteinase
7be7[6] T CL
CHLORIDE ION[1 atoms]
B 100.0
/100.0
2
/2
R1AB_SARS2 3C-like proteinase
7ghw[2] Y CL
CHLORIDE ION[1 atoms]
B 100.0
/100.0
3
/3
R1AB_SARS2 3C-like proteinase
7glb[3] K CL
CHLORIDE ION[1 atoms]
A 100.0
/100.0
2
/2
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
7jir[17] H CL
CHLORIDE ION[1 atoms]
A 100.0
/99.7
4
/4
R1A_SARS2 Papain-like protease
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
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] H CL
CHLORIDE ION[1 atoms]
A 100.0
/100.0
4
/4
R1A_SARS2 Papain-like protease nsp3
7oft[2] I CL
CHLORIDE ION[1 atoms]
A 100.0
/100.0
2
/2
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
7phz[1] N CL
CHLORIDE ION[1 atoms]
B 100.0
/100.0
2
/2
R1AB_SARS2 Replicase polyprotein 1ab
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
7qcm[1] J CL
CHLORIDE ION[1 atoms]
A 100.0
/100.0
2
/2
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
8g62[3] I CL
CHLORIDE ION[1 atoms]
A 100.0
/100.0
4
/4
R1A_SARS2 Non-structural protein 3
8r14[2] G CL
CHLORIDE ION[1 atoms]
A 100.0
/100.0
1
/1
R1A_SARS2 3C-like proteinase
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
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
7be7[25] S NA
SODIUM ION[1 atoms]
B 100.0
/100.0
4
/4
R1AB_SARS2 3C-like proteinase
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[1] C NA
SODIUM ION[1 atoms]
A 100.0
/100.0
6
/6
R1A_SARS2 3C-like proteinase
7ntt[1] C NA
SODIUM ION[1 atoms]
B 100.0
/100.0
1
/1
R1A_SARS2 3C-like proteinase
7phz[1] M NA
SODIUM ION[1 atoms]
B 100.0
/100.0
3
/3
R1AB_SARS2 Replicase polyprotein 1ab
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
8cx9[2] R NA
SODIUM ION[1 atoms]
B 100.0
/100.0
2
/2
R1A_SARS2 Papain-like protease nsp3
6yvf[3] L CA
CALCIUM ION[1 atoms]
A 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
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
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
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[565] 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
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
8ups[4] C PO4
PHOSPHATE ION[5 atoms]
A 100.0
/100.0
4
/4
R1AB_SARS2 3C-like proteinase nsp5
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[3] 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
7cuu[12] H GOL
GLYCEROL[6 atoms]
B 100.0
/100.0
4
/4
R1AB_SARS2 3C protein
7dpu[1] E GOL
GLYCEROL[6 atoms]
B 100.0
/100.0
4
/4
R1A_SARS2 3C-like proteinase
7lbr[1] 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
7qcj[2] E GOL
GLYCEROL[6 atoms]
A 100.0
/100.0
3
/3
R1A_SARS2 Papain-like protease nsp3
8dsu[1] C GOL
GLYCEROL[6 atoms]
B 100.0
/100.0
2
/2
R1AB_SARS2 3C-like proteinase nsp5
8dsu[1] F GOL
GLYCEROL[6 atoms]
B 100.0
/100.0
2
/2
R1AB_SARS2 3C-like proteinase nsp5
8fwn[2] C GOL
GLYCEROL[6 atoms]
A 100.0
/99.7
6
/6
R1AB_SARS2 Papain-like protease nsp3
6xb2[327] D DMS
DIMETHYL SULFOXIDE[4 atoms]
A 100.0
/100.0
5
/5
R1AB_SARS2 3C-like proteinase
6xb2[582] D DMS
DIMETHYL SULFOXIDE[4 atoms]
A 100.0
/100.0
2
/2
R1AB_SARS2 3C-like proteinase
6ynq[67] C DMS
DIMETHYL SULFOXIDE[4 atoms]
A 100.0
/100.0
2
/2
R1AB_SARS2 3C-like proteinase
6yvf[8] G DMS
DIMETHYL SULFOXIDE[4 atoms]
A 100.0
/100.0
1
/1
R1AB_SARS2 3C-like proteinase
6yvf[38] H DMS
DIMETHYL SULFOXIDE[4 atoms]
A 100.0
/100.0
2
/2
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
7awr[5] E DMS
DIMETHYL SULFOXIDE[4 atoms]
A 100.0
/100.0
4
/4
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
7b77[3] H DMS
DIMETHYL SULFOXIDE[4 atoms]
A 100.0
/100.0
4
/4
R1AB_SARS2 3C-like proteinase nsp5
7buy[33] 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
7ghm[17] R DMS
DIMETHYL SULFOXIDE[4 atoms]
B 100.0
/100.0
4
/4
R1AB_SARS2 3C-like proteinase
7ghq[4] F DMS
DIMETHYL SULFOXIDE[4 atoms]
A 100.0
/100.0
4
/4
R1AB_SARS2 3C-like proteinase
7ghs[10] Q 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
7gj7[1] Q DMS
DIMETHYL SULFOXIDE[4 atoms]
B 100.0
/100.0
4
/4
R1AB_SARS2 3C-like proteinase
7gkn[7] U DMS
DIMETHYL SULFOXIDE[4 atoms]
B 100.0
/100.0
5
/5
R1AB_SARS2 3C-like proteinase
7gl8[44] G DMS
DIMETHYL SULFOXIDE[4 atoms]
A 100.0
/100.0
2
/2
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
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[2] C PEG
DI(HYDROXYETHYL)ETHER[7 atoms]
A 100.0
/100.0
4
/4
R1AB_SARS2 3C-like proteinase nsp5
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[17] C EDO
1,2-ETHANEDIOL[4 atoms]
A 100.0
/100.0
6
/6
R1AB_SARS2 3C-like proteinase
7bb2[1] G EDO
1,2-ETHANEDIOL[4 atoms]
A 100.0
/100.0
3
/3
R1AB_SARS2 3C-like proteinase
7bb2[2] 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
7be7[1] F EDO
1,2-ETHANEDIOL[4 atoms]
B 100.0
/100.0
1
/1
R1AB_SARS2 3C-like proteinase
7be7[1] M EDO
1,2-ETHANEDIOL[4 atoms]
B 100.0
/100.0
1
/1
R1AB_SARS2 3C-like proteinase
7be7[1] O EDO
1,2-ETHANEDIOL[4 atoms]
B 100.0
/100.0
5
/5
R1AB_SARS2 3C-like proteinase
7be7[2] P EDO
1,2-ETHANEDIOL[4 atoms]
B 100.0
/100.0
4
/4
R1AB_SARS2 3C-like proteinase
7be7[2] Q EDO
1,2-ETHANEDIOL[4 atoms]
B 100.0
/100.0
4
/4
R1AB_SARS2 3C-like proteinase
7be7[2] R EDO
1,2-ETHANEDIOL[4 atoms]
B 100.0
/100.0
3
/3
R1AB_SARS2 3C-like proteinase
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
7phz[1] H EDO
1,2-ETHANEDIOL[4 atoms]
B 100.0
/100.0
4
/4
R1AB_SARS2 Replicase polyprotein 1ab
7phz[1] I EDO
1,2-ETHANEDIOL[4 atoms]
B 100.0
/100.0
3
/3
R1AB_SARS2 Replicase polyprotein 1ab
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
7d3i[2] C TRS
2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL[8 atoms]
A 100.0
/100.0
3
/3
R1A_SARS2 3C-like proteinase
7d7k[4] L SO4
SULFATE ION[5 atoms]
A 100.0
/99.7
5
/5
R1AB_SARS2 Non-structural protein 3
7d7k[4] 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
7e6k[3] G SO4
SULFATE ION[5 atoms]
A 100.0
/100.0
8
/8
R1AB_SARS2 3C-like proteinase
7e6k[6] H SO4
SULFATE ION[5 atoms]
A 100.0
/100.0
2
/2
R1AB_SARS2 3C-like proteinase
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
8eua[1] F SO4
SULFATE ION[5 atoms]
A 100.0
/100.0
2
/2
R1AB_SARS2 Papain-like protease nsp3
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[1] 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[1] T ACT
ACETATE ION[4 atoms]
B 100.0
/100.0
7
/7
R1AB_SARS2 3C-like proteinase nsp5
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
7mpb[1] F ETF
TRIFLUOROETHANOL[6 atoms]
B 100.0
/99.7
5
/5
R1AB_SARS2 3C-like proteinase
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.