HOMCOS(prot_sch_conbars.cgi):

		Contact Molecules for Homologous Proteins
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PID

QueryLength

Homolgous Sequence in PDB

UniProt Query

TITLE

1136065

4382

500

P0C6U8(R1A_SARS)

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; Short=PL-PRO; EC=3.4.19.12 ; EC=3.4.22.- ; AltName: Full=Non-structural protein 3; Short=nsp3; AltName: Full=PL2-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

MESLVLGVNEKTHVQLSLPVLQVRDVLVRGFGDSVEEALSEAREHLKNGTCGLVELEKGVLPQLEQPYVFIKRSDALSTNHGHKVVELVAEMDGIQYGRSGITLGVLVPHVGETPIAYRNVLLRKNGNKGAGGHSYGIDLKSYDLGDELG
TDPIEDYEQNWNTKHGSGALRELTRELNGGAVTRYVDNNFCGPDGYPLDCIKDFLARAGKSMCTLSEQLDYIESKRGVYCCRDHEHEIAWFTERSDKSYEHQTPFEIKSAKKFDTFKGECPKFVFPLNSKVKVIQPRVEKKKTEGFMGRI
RSVYPVASPQECNNMHLSTLMKCNHCDEVSWQTCDFLKATCEHCGTENLVIEGPTTCGYLPTNAVVKMPCPACQDPEIGPEHSVADYHNHSNIETRLRKGGRTRCFGGCVFAYVGCYNKRAYWVPRASADIGSGHTGITGDNVETLNEDL
LEILSRERVNINIVGDFHLNEEVAIILASFSASTSAFIDTIKSLDYKSFKTIVESCGNYKVTKGKPVKGAWNIGQQRSVLTPLCGFPSQAAGVIRSIFARTLDAANHSIPDLQRAAVTILDGISEQSLRLVDAMVYTSDLLTNSVIIMAY
VTGGLVQQTSQWLSNLLGTTVEKLRPIFEWIEAKLSAGVEFLKDAWEILKFLITGVFDIVKGQIQVASDNIKDCVKCFIDVVNKALEMCIDQVTIAGAKLRSLNLGEVFIAQSKGLYRQCIRGKEQLQLLMPLKAPKEVTFLEGDSHDTV
LTSEEVVLKNGELEALETPVDSFTNGAIVGTPVCVNGLMLLEIKDKEQYCALSPGLLATNNVFRLKGGAPIKGVTFGEDTVWEVQGYKNVRITFELDERVDKVLNEKCSVYTVESGTEVTEFACVVAEAVVKTLQPVSDLLTNMGIDLDE
WSVATFYLFDDAGEENFSSRMYCSFYPPDEEEEDDAECEEEEIDETCEHEYGTEDDYQGLPLEFGASAETVRVEEEEEEDWLDDTTEQSEIEPEPEPTPEEPVNQFTGYLKLTDNVAIKCVDIVKEAQSANPMVIVNAANIHLKHGGGVA
GALNKATNGAMQKESDDYIKLNGPLTVGGSCLLSGHNLAKKCLHVVGPNLNAGEDIQLLKAAYENFNSQDILLAPLLSAGIFGAKPLQSLQVCVQTVRTQVYIAVNDKALYEQVVMDYLDNLKPRVEAPKQEEPPNTEDSKTEEKSVVQK
PVDVKPKIKACIDEVTTTLEETKFLTNKLLLFADINGKLYHDSQNMLRGEDMSFLEKDAPYMVGDVITSGDITCVVIPSKKAGGTTEMLSRALKKVPVDEYITTYPGQGCAGYTLEEAKTALKKCKSAFYVLPSEAPNAKEEILGTVSWN
LREMLAHAEETRKLMPICMDVRAIMATIQRKYKGIKIQEGIVDYGVRFFFYTSKEPVASIITKLNSLNEPLVTMPIGYVTHGFNLEEAARCMRSLKAPAVVSVSSPDAVTTYNGYLTSSSKTSEEHFVETVSLAGSYRDWSYSGQRTELG
VEFLKRGDKIVYHTLESPVEFHLDGEVLSLDKLKSLLSLREVKTIKVFTTVDNTNLHTQLVDMSMTYGQQFGPTYLDGADVTKIKPHVNHEGKTFFVLPSDDTLRSEAFEYYHTLDESFLGRYMSALNHTKKWKFPQVGGLTSIKWADNN
CYLSSVLLALQQLEVKFNAPALQEAYYRARAGDAANFCALILAYSNKTVGELGDVRETMTHLLQHANLESAKRVLNVVCKHCGQKTTTLTGVEAVMYMGTLSYDNLKTGVSIPCVCGRDATQYLVQQESSFVMMSAPPAEYKLQQGTFLC
ANEYTGNYQCGHYTHITAKETLYRIDGAHLTKMSEYKGPVTDVFYKETSYTTTIKPVSYKLDGVTYTEIEPKLDGYYKKDNAYYTEQPIDLVPTQPLPNASFDNFKLTCSNTKFADDLNQMTGFTKPASRELSVTFFPDLNGDVVAIDYR
HYSASFKKGAKLLHKPIVWHINQATTKTTFKPNTWCLRCLWSTKPVDTSNSFEVLAVEDTQGMDNLACESQQPTSEEVVENPTIQKEVIECDVKTTEVVGNVILKPSDEGVKVTQELGHEDLMAAYVENTSITIKKPNELSLALGLKTIA
THGIAAINSVPWSKILAYVKPFLGQAAITTSNCAKRLAQRVFNNYMPYVFTLLFQLCTFTKSTNSRIRASLPTTIAKNSVKSVAKLCLDAGINYVKSPKFSKLFTIAMWLLLLSICLGSLICVTAAFGVLLSNFGAPSYCNGVRELYLNS
SNVTTMDFCEGSFPCSICLSGLDSLDSYPALETIQVTISSYKLDLTILGLAAEWVLAYMLFTKFFYLLGLSAIMQVFFGYFASHFISNSWLMWFIISIVQMAPVSAMVRMYIFFASFYYIWKSYVHIMDGCTSSTCMMCYKRNRATRVEC
TTIVNGMKRSFYVYANGGRGFCKTHNWNCLNCDTFCTGSTFISDEVARDLSLQFKRPINPTDQSSYIVDSVAVKNGALHLYFDKAGQKTYERHPLSHFVNLDNLRANNTKGSLPINVIVFDGKSKCDESASKSASVYYSQLMCQPILLLD
QALVSDVGDSTEVSVKMFDAYVDTFSATFSVPMEKLKALVATAHSELAKGVALDGVLSTFVSAARQGVVDTDVDTKDVIECLKLSHHSDLEVTGDSCNNFMLTYNKVENMTPRDLGACIDCNARHINAQVAKSHNVSLIWNVKDYMSLSE
QLRKQIRSAAKKNNIPFRLTCATTRQVVNVITTKISLKGGKIVSTCFKLMLKATLLCVLAALVCYIVMPVHTLSIHDGYTNEIIGYKAIQDGVTRDIISTDDCFANKHAGFDAWFSQRGGSYKNDKSCPVVAAIITREIGFIVPGLPGTV
LRAINGDFLHFLPRVFSAVGNICYTPSKLIEYSDFATSACVLAAECTIFKDAMGKPVPYCYDTNLLEGSISYSELRPDTRYVLMDGSIIQFPNTYLEGSVRVVTTFDAEYCRHGTCERSEVGICLSTSGRWVLNNEHYRALSGVFCGVDA
MNLIANIFTPLVQPVGALDVSASVVAGGIIAILVTCAAYYFMKFRRVFGEYNHVVAANALLFLMSFTILCLVPAYSFLPGVYSVFYLYLTFYFTNDVSFLAHLQWFAMFSPIVPFWITAIYVFCISLKHCHWFFNNYLRKRVMFNGVTFS
TFEEAALCTFLLNKEMYLKLRSETLLPLTQYNRYLALYNKYKYFSGALDTTSYREAACCHLAKALNDFSNSGADVLYQPPQTSITSAVLQSGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDTVYCPRHVICTAEDMLNPNYEDLLIR
KSNHSFLVQAGNVQLRVIGHSMQNCLLRLKVDTSNPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNHTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGKFYGPFVDRQTAQAAGTDTTITLNVLAWLYA
AVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCAALKELLQNGMNGRTILGSTILEDEFTPFDVVRQCSGVTFQGKFKKIVKGTHHWMLLTFLTSLLILVQSTQWSLFFFVYENAFLPFTLGIMAIAA
CAMLLVKHKHAFLCLFLLPSLATVAYFNMVYMPASWVMRIMTWLELADTSLSGYRLKDCVMYASALVLLILMTARTVYDDAARRVWTLMNVITLVYKVYYGNALDQAISMWALVISVTSNYSGVVTTIMFLARAIVFVCVEYYPLLFITG
NTLQCIMLVYCFLGYCCCCYFGLFCLLNRYFRLTLGVYDYLVSTQEFRYMNSQGLLPPKSSIDAFKLNIKLLGIGGKPCIKVATVQSKMSDVKCTSVVLLSVLQQLRVESSSKLWAQCVQLHNDILLAKDTTEAFEKMVSLLSVLLSMQG
AVDINRLCEEMLDNRATLQAIASEFSSLPSYAAYATAQEAYEQAVANGDSEVVLKKLKKSLNVAKSEFDRDAAMQRKLEKMADQAMTQMYKQARSEDKRAKVTSAMQTMLFTMLRKLDNDALNNIINNARDGCVPLNIIPLTTAAKLMVV
VPDYGTYKNTCDGNTFTYASALWEIQQVVDADSKIVQLSEINMDNSPNLAWPLIVTALRANSAVKLQNNELSPVALRQMSCAAGTTQTACTDDNALAYYNNSKGGRFVLALLSDHQDLKWARFPKSDGTGTIYTELEPPCRFVTDTPKGP
KVKYLYFIKGLNNLNRGMVLGSLAATVRLQAGNATEVPANSTVLSFCAFAVDPAKAYKDYLASGGQPITNCVKMLCTHTGTGQAITVTPEANMDQESFGGASCCLYCRCHIDHPNPKGFCDLKGKYVQIPTTCANDPVGFTLRNTVCTVC
GMWKGYGCSCDQLREPLMQSADASTFLNGFAV

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

UniProt Feature Tables [P0C6U8(R1A_SARS)]

4382
	region	name	description
	1-4382	CHAIN	/note="Replicase polyprotein 1a" /id="PRO_0000338254"
	1-180	CHAIN	/note="Host translation inhibitor nsp1" /id="PRO_0000338255"
	181-818	CHAIN	/note="Non-structural protein 2" /id="PRO_0000338256"
	819-2740	CHAIN	/note="Papain-like protease nsp3" /id="PRO_0000338257"
	2741-3240	CHAIN	/note="Non-structural protein 4" /id="PRO_0000338258"
	3241-3546	CHAIN	/note="3C-like proteinase nsp5" /id="PRO_0000338259"
	3547-3836	CHAIN	/note="Non-structural protein 6" /id="PRO_0000338260"
	3837-3919	CHAIN	/note="Non-structural protein 7" /id="PRO_0000338261"
	3920-4117	CHAIN	/note="Non-structural protein 8" /id="PRO_0000338262"
	4118-4230	CHAIN	/note="RNA-capping enzyme subunit nsp9" /id="PRO_0000338263"
	4231-4369	CHAIN	/note="Non-structural protein 10" /id="PRO_0000338264"
	4370-4382	CHAIN	/note="Non-structural protein 11" /id="PRO_0000338265"
	1-2202	TOPO_DOM	/note="Cytoplasmic"
	2203-2223	TRANSMEM	/note="Helical"
	2224-2303	TOPO_DOM	/note="Lumenal"
	2304-2324	TRANSMEM	/note="Helical"
	2325-2754	TOPO_DOM	/note="Cytoplasmic"
	2755-2775	TRANSMEM	/note="Helical"
	2776-3021	TOPO_DOM	/note="Lumenal"
	3022-3042	TRANSMEM	/note="Helical"
	3043-3076	TOPO_DOM	/note="Cytoplasmic"
	3077-3097	TRANSMEM	/note="Helical"
	3098-3104	TOPO_DOM	/note="Lumenal"
	3105-3125	TRANSMEM	/note="Helical"
	3126-3563	TOPO_DOM	/note="Cytoplasmic"
	3564-3584	TRANSMEM	/note="Helical"
	3585-3585	TOPO_DOM	/note="Lumenal"
	3586-3606	TRANSMEM	/note="Helical"
	3607-3611	TOPO_DOM	/note="Cytoplasmic"
	3612-3632	TRANSMEM	/note="Helical"
	3633-3657	TOPO_DOM	/note="Lumenal"
	3658-3678	TRANSMEM	/note="Helical"
	3679-3727	TOPO_DOM	/note="Cytoplasmic"
	3728-3748	TRANSMEM	/note="Helical"
	3749-3755	TOPO_DOM	/note="Lumenal"
	3756-3776	TRANSMEM	/note="Helical"
	3777-4382	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"
	822-930	DOMAIN	/note="Ubiquitin-like 1"
	1003-1169	DOMAIN	/note="Macro 1"
	1207-1335	DOMAIN	/note="Macro 2"
	1343-1470	DOMAIN	/note="Macro 3"
	1472-1538	DOMAIN	/note="DPUP"
	1542-1597	DOMAIN	/note="Ubiquitin-like 2"
	1611-1875	DOMAIN	/note="Peptidase C16"
	1888-1998	DOMAIN	/note="Nucleic acid-binding"
	2023-2132	DOMAIN	/note="G2M"
	2224-2294	DOMAIN	/note="3Ecto"
	2372-2740	DOMAIN	/note="CoV Nsp3 Y"
	3142-3240	DOMAIN	/note="Nsp4C"
	3241-3546	DOMAIN	/note="Peptidase C30"
	3837-3919	DOMAIN	/note="RdRp Nsp7 cofactor"
	3920-4117	DOMAIN	/note="RdRp Nsp8 cofactor"
	4118-4230	DOMAIN	/note="Nsp9 ssRNA-binding"
	4231-4369	DOMAIN	/note="ExoN/MTase coactivator"
	1729-1766	ZN_FING	/note="C4-type" ECO:0000269\|PubMed:16306590"
	4304-4320	ZN_FING
	4347-4360	ZN_FING
	200-236	REGION	/note="C2H2"
	323-344	REGION	/note="C4"
	370-416	REGION	/note="C2HC"
	972-1003	REGION	/note="Disordered"
	1175-1198	REGION	/note="Disordered"
	2203-2324	REGION	/note="HD1"
	2372-2462	REGION	/note="Y1"
	2376-2389	REGION	/note="ZF1"
	2422-2432	REGION	/note="ZF2"
	2463-2740	REGION	/note="CoV-Y"
	2463-2557	REGION	/note="Y2"
	2558-2639	REGION	/note="Y3"
	2640-2740	REGION	/note="Y4"
	2755-3125	REGION	/note="HD2"
	3564-3776	REGION	/note="HD3"
	974-999	COMPBIAS	/note="Acidic residues"
	1651-1651	ACT_SITE	/note="For PL-PRO activity"
	1812-1812	ACT_SITE	/note="For PL-PRO activity" ECO:0000269\|PubMed:16306590"
	1826-1826	ACT_SITE	/note="For PL-PRO activity" ECO:0000269\|PubMed:16306590"
	3281-3281	ACT_SITE	/note="For 3CL-PRO activity" ECO:0000269\|PubMed:16306590"
	3385-3385	ACT_SITE	/note="For 3CL-PRO activity"
	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"
	1729-1729	BINDING	/ligand="Zn(2+)" /ligand_id="ChEBI:CHEBI:29105" /ligand_label="4"
	1732-1732	BINDING	/ligand="Zn(2+)" /ligand_id="ChEBI:CHEBI:29105" /ligand_label="4"
	1764-1764	BINDING	/ligand="Zn(2+)" /ligand_id="ChEBI:CHEBI:29105" /ligand_label="4"
	1766-1766	BINDING	/ligand="Zn(2+)" /ligand_id="ChEBI:CHEBI:29105" /ligand_label="4"
	2376-2376	BINDING	/ligand="Zn(2+)" /ligand_id="ChEBI:CHEBI:29105" /ligand_label="5"
	2381-2381	BINDING	/ligand="Zn(2+)" /ligand_id="ChEBI:CHEBI:29105" /ligand_label="5"
	2386-2386	BINDING	/ligand="Zn(2+)" /ligand_id="ChEBI:CHEBI:29105" /ligand_label="5"
	2389-2389	BINDING	/ligand="Zn(2+)" /ligand_id="ChEBI:CHEBI:29105" /ligand_label="5"
	2422-2422	BINDING	/ligand="Zn(2+)" /ligand_id="ChEBI:CHEBI:29105" /ligand_label="6"
	2425-2425	BINDING	/ligand="Zn(2+)" /ligand_id="ChEBI:CHEBI:29105" /ligand_label="6"
	2429-2429	BINDING	/ligand="Zn(2+)" /ligand_id="ChEBI:CHEBI:29105" /ligand_label="6"
	2432-2432	BINDING	/ligand="Zn(2+)" /ligand_id="ChEBI:CHEBI:29105" /ligand_label="6"
	4304-4304	BINDING	/ligand="Zn(2+)" /ligand_id="ChEBI:CHEBI:29105" /ligand_label="7"
	4307-4307	BINDING	/ligand="Zn(2+)" /ligand_id="ChEBI:CHEBI:29105" /ligand_label="7"
	4313-4313	BINDING	/ligand="Zn(2+)" /ligand_id="ChEBI:CHEBI:29105" /ligand_label="7"
	4320-4320	BINDING	/ligand="Zn(2+)" /ligand_id="ChEBI:CHEBI:29105" /ligand_label="7"
	4347-4347	BINDING	/ligand="Zn(2+)" /ligand_id="ChEBI:CHEBI:29105" /ligand_label="8"
	4350-4350	BINDING	/ligand="Zn(2+)" /ligand_id="ChEBI:CHEBI:29105" /ligand_label="8"
	4358-4358	BINDING	/ligand="Zn(2+)" /ligand_id="ChEBI:CHEBI:29105" /ligand_label="8"
	4360-4360	BINDING	/ligand="Zn(2+)" /ligand_id="ChEBI:CHEBI:29105" /ligand_label="8"
	1-4382	DISORDER	predicted by DISOPRED

MONOMER

4382

pdb_id a¹ identity[%]² description

8yax A 81.1 R1AB_SARS2 Papain-like protease nsp3

7fac A 100.0 R1A_SARS Non-structural protein 2

7msw A 68.3 R1AB_SARS2 Non-structural protein 2

8yb7 C 82.6 R1AB_SARS2 Non-structural protein 4

5b6o A 99.7 R1AB_CVHSA 3C-like proteinase

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

HETERO

4382 pdb_id contact mol homologue

a³ description a⁴ identity[%]⁵ Ncon⁶ description

1uk4[2] C 5-mer peptide of inhibitor[6 aa] A 100.0
/100.0 18
/18 R1AB_SARS 3C-like proteinase nsp5

1uk4[1] E 5-mer peptide of inhibitor[5 aa] B 100.0
/100.0 2
/2 R1AB_SARS 3C-like proteinase nsp5

2z3c[4] B inhibitor[5 aa] A 100.0
/100.0 19
/19 R1AB_CVHSA Replicase polyprotein 1ab (pp1ab)

2z3d[2] B Inhibitor[5 aa] A 100.0
/100.0 18
/18 R1AB_CVHSA Replicase polyprotein 1ab (pp1ab)

3sna[2] B Peptide aldehyde inhibitor Ac-NSFSQ-H[6 aa] A 100.0
/100.0 17
/17 R1A_CVHSA 3C-like proteinase

3snb[2] B Peptide aldehyde inhibitor Ac-DSFDQ-H[6 aa] A 100.0
/100.0 19
/19 R1A_CVHSA 3C-like proteinase

3snc[2] B Peptide aldehyde inhibitor Ac-NSTSQ-H[6 aa] A 100.0
/100.0 18
/18 R1A_CVHSA 3C-like proteinase

3snd[2] C Peptide aldehyde inhibitor Ac-ESTLQ-H[2 aa] A 100.0
/100.0 12
/12 R1A_CVHSA 3C-like proteinase

3sne[2] B Peptide aldehyde inhibitor Ac-ESTLQ-H[6 aa] A 100.0
/100.0 21
/21 R1A_CVHSA 3C-like proteinase

3vb4[4] C B4Z inhibitor[5 aa] A 100.0
/100.0 21
/21 R1A_CVHSA 3C-like proteinase

3vb4[1] C B4Z inhibitor[5 aa] B 100.0
/100.0 1
/1 R1A_CVHSA 3C-like proteinase

3vb6[2] C C6Z inhibitor[4 aa] A 100.0
/100.0 18
/18 R1A_CVHSA 3C-like proteinase

3vb6[1] D C6Z inhibitor[4 aa] A 100.0
/100.0 1
/1 R1A_CVHSA 3C-like proteinase

3vb7[2] C M4Z inhibitor[4 aa] A 100.0
/100.0 20
/20 R1A_CVHSA 3C-like proteinase

3vb7[1] C M4Z inhibitor[4 aa] B 100.0
/100.0 1
/1 R1A_CVHSA 3C-like proteinase

4m0w[4] B RS27A_BOVIN Ubiquitin[76 aa] A 96.2
/99.7 26
/26 R1A_CVHSA Replicase polyprotein 1a

5e6j[2] C UBB_HUMAN Polyubiquitin-B[75 aa] A 100.0
/99.1 11
/11 R1AB_CVHSA Replicase polyprotein 1ab

5tl6[2] D ISG15_HUMAN Ubiquitin-like protein ISG15[78 aa] A 100.0
/100.0 21
/21 R1AB_CVHSA Replicase polyprotein 1ab

5tl7[2] A ISG15_MOUSE Ubiquitin-like protein ISG15[77 aa] B 100.0
/100.0 27
/27 R1AB_CVHSA Replicase polyprotein 1ab

7lfu[3] B Papain-like protease peptide inhibitor VIR250[5 aa.. A 100.0
/100.0 16
/16 R1A_SARS papain-like protease

3aw0[2] B peptide ACE-SER-ALA-VAL-LEU-HIS-H[6 aa] A 100.0
/99.7 18
/18 R1A_CVHSA 3C-Like Proteinase

2q6g[1] C Polypeptide chain[11 aa] A 100.0
/99.7 24
/24 R1AB_CVHSA severe acute respiratory syndrome coronavirus (SAR..

2q6g[1] D Polypeptide chain[8 aa] B 96.0
/99.7 25
/25 R1AB_CVHSA severe acute respiratory syndrome coronavirus (SAR..

3atw[2] C peptide ACE-THR-VAL-ALC-HIS-H[5 aa] A 95.2
/99.7 21
/21 R1A_CVHSA 3C-Like Proteinase

3avz[1] B peptide ACE-SER-ALA-VAL-ALC-HIS-H[6 aa] A 94.7
/99.7 19
/19 R1A_CVHSA 3C-Like Proteinase

2amq[2] C N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-.. A 100.0
/100.0 24
/24 R1AB_CVHSA 3C-like proteinase

2hob[12] B N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-.. A 100.0
/100.0 23
/23 R1AB_CVHSA Replicase polyprotein 1ab

3iwm[6] H N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-.. C 100.0
/100.0 1
/1 R1A_CVHSA 3C-like proteinase

6xbi[1] C inhibitor UAW248[5 aa] A 100.0
/96.1 20
/20 R1AB_SARS2 3C-like proteinase

7mrr[2] B LEUPEPTIN[4 aa] A 100.0
/96.1 13
/13 R1AB_SARS2 3C-like proteinase

8gvd[3] B 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE.. A 91.7
/96.1 12
/12 R1A_SARS2 3C-like proteinase nsp5

8s9z[2] B Mpro inhibitor[5 aa] A 100.0
/96.1 21
/21 R1AB_SARS2 3C-like proteinase nsp5

8tqu[2] B UAW247[3 aa] A 100.0
/96.1 16
/16 R1AB_SARS2 3C-like proteinase nsp5

9eo6[3] G Inhibitor SLL11[4 aa] A 100.0
/96.1 17
/17 R1AB_SARS2 3C-like proteinase nsp5

9eo6[2] H Inhibitor SLL11[4 aa] A 100.0
/96.1 1
/1 R1AB_SARS2 3C-like proteinase nsp5

9eor[6] G Inhibitor SLL12[4 aa] A 100.0
/96.1 17
/17 R1AB_SARS2 3C-like proteinase nsp5

9eor[2] G Inhibitor SLL12[4 aa] B 100.0
/96.1 1
/1 R1AB_SARS2 3C-like proteinase nsp5

8yax[36] C R1AB_SARS2 Non-structural protein 4[371 aa] A 85.7
/81.1 21
/21 R1AB_SARS2 Papain-like protease nsp3

8yax[18] C R1AB_SARS2 Non-structural protein 4[371 aa] A 100.0
/81.1 1
/1 R1AB_SARS2 Papain-like protease nsp3

8yax[18] C R1AB_SARS2 Non-structural protein 4[371 aa] A 100.0
/81.1 3
/3 R1AB_SARS2 Papain-like protease nsp3

8yax[12] C R1AB_SARS2 Non-structural protein 4[371 aa] B 100.0
/83.8 1
/1 R1AB_SARS2 Papain-like protease nsp3

8yax[6] A R1AB_SARS2 Papain-like protease nsp3[1314 aa] C 83.3
/79.8 24
/24 R1AB_SARS2 Non-structural protein 4

8yax[6] A R1AB_SARS2 Papain-like protease nsp3[1314 aa] C 100.0
/79.8 3
/3 R1AB_SARS2 Non-structural protein 4

8yax[6] A R1AB_SARS2 Papain-like protease nsp3[1314 aa] C 0.0
/79.8 1
/1 R1AB_SARS2 Non-structural protein 4

8yax[6] B R1AB_SARS2 Papain-like protease nsp3[543 aa] C 100.0
/79.8 1
/1 R1AB_SARS2 Non-structural protein 4

8yax[6] B R1AB_SARS2 Papain-like protease nsp3[543 aa] D 82.6
/79.8 23
/23 R1AB_SARS2 Non-structural protein 4

8yb5[24] A R1AB_SARS2 Papain-like protease nsp3[353 aa] C 78.3
/79.8 23
/23 R1AB_SARS2 Non-structural protein 4

8yb5[15] A R1AB_SARS2 Papain-like protease nsp3[353 aa] C 100.0
/79.8 4
/4 R1AB_SARS2 Non-structural protein 4

8yb5[12] A R1AB_SARS2 Papain-like protease nsp3[353 aa] C 0.0
/79.8 2
/2 R1AB_SARS2 Non-structural protein 4

8yb7[3] A R1AB_SARS2 Papain-like protease nsp3[353 aa] H 100.0
/79.8 2
/2 R1AB_SARS2 Non-structural protein 4

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

4382 pdb_id contact mol homologue

a³ description a⁴ identity[%]⁵ Ncon⁶ description

1wof[2] C I12
N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]-L-ALANYL-L-VAL.. A 100.0
/100.0 23
/23 R1AB_CVHSA 3C-like proteinase

2a5i[6] B AZP
(5S,8S,14R)-ETHYL 11-(3-AMINO-3-OXOPROPYL)-8-BENZY.. A 100.0
/100.0 23
/23 R1AB_CVHSA 3C-like peptidase

2alv[2] B CY6
N-((3S,6R)-6-((S,E)-4-ETHOXYCARBONYL-1-((S)-2-OXOP.. A 100.0
/100.0 24
/24 R1AB_CVHSA Replicase polyprotein 1ab

2amd[2] C 9IN
N-(3-FUROYL)-D-VALYL-L-VALYL-N~1~-((1R,2Z)-4-ETHOX.. A 100.0
/100.0 23
/23 R1AB_CVHSA 3C-like proteinase

2d2d[2] C ENB
ETHYL (2E,4S)-4-[((2R)-2-{[N-(TERT-BUTOXYCARBONYL).. A 100.0
/100.0 21
/21 R1AB_CVHSA 3C-like proteinase

2gz7[2] B D3F
2-[(2,4-DICHLORO-5-METHYLPHENYL)SULFONYL]-1,3-DINI.. A 100.0
/100.0 13
/13 R1AB_CVHSA Replicase polyprotein 1ab

2gz8[2] B F3F
S-[5-(TRIFLUOROMETHYL)-4H-1,2,4-TRIAZOL-3-YL] 5-(P.. A 100.0
/100.0 14
/14 R1AB_CVHSA Replicase polyprotein 1ab

2op9[2] C WR1
NALPHA-[(BENZYLOXY)CARBONYL]-N-[(1R)-4-HYDROXY-1-M.. A 100.0
/100.0 13
/13 R1AB_CVHSA Replicase polyprotein 1ab (pp1ab, ORF1AB) 3C-like ..

2v6n[2] B XP1
4-(DIMETHYLAMINO)BENZOIC ACID[11 atoms] A 100.0
/100.0 10
/10 R1AB_CVHSA REPLICASE POLYPROTEIN 1AB

2vj1[1] G XP1
4-(DIMETHYLAMINO)BENZOIC ACID[8 atoms] B 100.0
/100.0 6
/6 A7J8L3_CVHSA SARS CORONAVIRUS MAIN PROTEINASE

2vj1[1] D BEZ
BENZOIC ACID[9 atoms] A 100.0
/100.0 8
/8 A7J8L3_CVHSA SARS CORONAVIRUS MAIN PROTEINASE

2z94[2] C TLD
4-methylbenzene-1,2-dithiol[9 atoms] A 100.0
/100.0 3
/3 R1AB_CVHSA Replicase polyprotein 1ab

2zu4[2] B ZU3
N-[(benzyloxy)carbonyl]-3-[(2,2-dimethylpropanoyl).. A 100.0
/100.0 22
/22 R1A_CVHSA 3C-like proteinase

2zu4[2] B ZU3
N-[(benzyloxy)carbonyl]-3-[(2,2-dimethylpropanoyl).. A 100.0
/100.0 1
/1 R1A_CVHSA 3C-like proteinase

2zu5[2] B ZU5
N-[(benzyloxy)carbonyl]-O-tert-butyl-L-threonyl-N-.. A 100.0
/100.0 22
/22 R1A_CVHSA 3C-like proteinase

2zu5[2] B ZU5
N-[(benzyloxy)carbonyl]-O-tert-butyl-L-threonyl-N-.. A 100.0
/100.0 1
/1 R1A_CVHSA 3C-like proteinase

3d62[2] B 959
benzyl (2-oxopropyl)carbamate[15 atoms] A 100.0
/100.0 10
/10 R1AB_CVHSA 3C-like proteinase

3mj5[1] C GRM
N-(1,3-benzodioxol-5-ylmethyl)-1-[(1R)-1-naphthale.. A 100.0
/100.0 9
/9 R1A_CVHSA Replicase polyprotein 1a

3mj5[1] E GRM
N-(1,3-benzodioxol-5-ylmethyl)-1-[(1R)-1-naphthale.. A 100.0
/100.0 4
/4 R1A_CVHSA Replicase polyprotein 1a

3sn8[2] B S89
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-Nalpha-[(2E.. A 100.0
/100.0 15
/15 R1A_CVHSA 3C-like proteinase

3szn[2] B G75
ETHYL (4R)-4-({N-[(BENZYLOXY)CARBONYL]-L-PHENYLALA.. A 100.0
/100.0 17
/17 R1A_CVHSA 3C-like proteinase

3tit[2] B G81
ETHYL (4R)-4-{[N-(TERT-BUTOXYCARBONYL)-L-PHENYLALA.. A 100.0
/100.0 15
/15 R1A_CVHSA SARS coronavirus main protease

3tiu[2] C G82
ETHYL (5S,8S,11R)-8-BENZYL-5-(3-TERT-BUTOXY-3-OXOP.. A 100.0
/100.0 23
/23 R1A_CVHSA SARS coronavirus main protease

3tns[2] B G83
ETHYL (5S,8S,11R)-8-BENZYL-5-(2-TERT-BUTOXY-2-OXOE.. A 100.0
/100.0 24
/24 R1A_CVHSA SARS coronavirus main protease

3tns[2] B G83
ETHYL (5S,8S,11R)-8-BENZYL-5-(2-TERT-BUTOXY-2-OXOE.. A 100.0
/100.0 1
/1 R1A_CVHSA SARS coronavirus main protease

3tnt[2] B G85
N-[(benzyloxy)carbonyl]-O-tert-butyl-L-seryl-N-{(2.. A 100.0
/100.0 22
/22 R1A_CVHSA SARS coronavirus main protease

3v3m[2] B 0EN
N-[(1R)-2-(tert-butylamino)-2-oxo-1-(pyridin-3-yl).. A 100.0
/100.0 15
/15 R1A_CVHSA 3C-like proteinase

4mds[2] B 23H
N-[4-(acetylamino)phenyl]-2-(1H-benzotriazol-1-yl).. A 100.0
/100.0 18
/18 R1A_CVHSA 3C-like proteinase

4ovz[1] D P85
N-[(4-fluorophenyl)methyl]-1-[(1R)-1-naphthalen-1-.. A 100.0
/100.0 11
/11 R1A_CVHSA Papain-like proteinase

4ow0[1] D S88
N-[(3-fluorophenyl)methyl]-1-[(1R)-1-naphthalen-1-.. A 100.0
/100.0 10
/10 R1A_CVHSA papain-like protease

5n19[2] B D03
(S)-N-benzyl-3-((S)-2-cinnamamido-3-phenylpropanam.. A 100.0
/100.0 21
/21 R1AB_CVHSA SARS coronavirus main protease

5n5o[2] B 8O5
(2~{R},3~{S})-3-[[(2~{S})-3-cyclopropyl-2-[[(~{E}).. A 100.0
/100.0 17
/17 R1AB_CVHSA Replicase polyprotein 1ab

6lnq[1] B EJF
N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxidanylidene.. A 100.0
/100.0 19
/19 Severe Acute Respiratory Syndrome Coronavirus 3c L..

6lny[1] B EOC
(2~{S})-4-methyl-~{N}-[(2~{S})-1-oxidanylidene-3-[.. A 100.0
/100.0 16
/16 R1A_CVHSA Replicase polyprotein 1a

6lo0[1] B EOF
(2~{S})-4-methyl-~{N}-[(2~{S})-1-oxidanylidene-3-[.. A 100.0
/100.0 18
/18 R1A_CVHSA Replicase polyprotein 1a

6m2n[3] E 3WL
5,6,7-trihydroxy-2-phenyl-4H-chromen-4-one[20 atom.. A 100.0
/96.1 13
/13 R1AB_SARS2 3C-like proteinase

6w79[9] C X77
N-(4-tert-butylphenyl)-N-[(1R)-2-(cyclohexylamino).. A 100.0
/100.0 17
/17 Main protease

6wco[2] D X47
N-(4-tert-butylphenyl)-N-[(1R)-2-(cyclopentylamino.. A 100.0
/100.0 17
/17 A0A3G5BIY8_CVHSA Main protease

6wtk[6] B UED
N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3.. A 100.0
/96.1 17
/17 R1AB_SARS2 3C-like proteinase

6xhl[2] C V2M
N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyr.. A 100.0
/100.0 18
/18 R1A_CVHSA 3C-like proteinase

6xhn[2] C V3D
(3S)-3-{[N-(4-methoxy-1H-indole-2-carbonyl)-L-leuc.. A 100.0
/100.0 17
/17 R1A_CVHSA 3C-like proteinase

6xho[1] D V34
ethyl (2E,4S)-4-{[N-(4-methoxy-1H-indole-2-carbony.. A 100.0
/100.0 19
/19 R1A_CVHSA 3C-like proteinase

6y7m[2] B OEW
~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclohexyl-1-[[(2.. A 100.0
/100.0 20
/20 R1A_SARS 3C-like proteinase

7en8[3] C J7R
~{N}-[(1~{S},2~{R})-2-[[4-bromanyl-2-(methylcarbam.. A 100.0
/96.1 17
/17 R1A_SARS2 3C-like proteinase

7en8[3] D J7R
~{N}-[(1~{S},2~{R})-2-[[4-bromanyl-2-(methylcarbam.. A 100.0
/96.1 1
/1 R1A_SARS2 3C-like proteinase

7eo8[1] C FNO
2-[(1R)-4-methyl-1-oxidanyl-pent-3-enyl]-5,8-bis(o.. A 100.0
/100.0 8
/8 R1A_CVHSA 3C-like proteinase

7k0h[2] E VR4
N-{(2S,3R)-4-(benzylamino)-3-hydroxy-4-oxo-1-[(3S).. A 100.0
/100.0 18
/18 R1A_CVHSA Replicase polyprotein 1a

7lmg[2] C Y6G
2-(benzotriazol-1-yl)-~{N}-[4-(1~{H}-imidazol-4-yl.. A 100.0
/100.0 17
/17 R1A_SARS 3C-like proteinase

7lmh[2] B Y6D
2-(benzotriazol-1-yl)-~{N}-(4-pyridin-3-ylphenyl)-.. A 100.0
/100.0 19
/19 R1A_SARS 3C-like proteinase

7lmi[2] C Y6A
2-(benzotriazol-1-yl)-~{N}-[4-(1~{H}-pyrazol-4-yl).. A 100.0
/100.0 16
/16 R1A_SARS 3C-like proteinase

7lmj[2] E Y67
2-(benzotriazol-1-yl)-~{N}-[(3-chlorophenyl)methyl.. A 100.0
/100.0 18
/18 R1A_SARS 3C-like proteinase

7rc1[2] B 4IO
5-chloropyridin-3-yl 1-(3-nitrobenzene-1-sulfonyl).. A 100.0
/100.0 14
/14 R1A_SARS 3C-like proteinase

7rfs[12] B 4WI
(1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrroli.. A 100.0
/96.1 21
/21 R1AB_SARS2 3C-like proteinase

7wqi[2] C 80I
[(3~{S})-3-[[(2~{S})-2-[(4-methoxy-1~{H}-indol-2-y.. A 100.0
/100.0 14
/14 R1A_SARS 3C-like proteinase

7ygq[2] C HUR
N-[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxida.. A 100.0
/100.0 20
/20 R1A_SARS 3C-like proteinase nsp5

7zqw[2] B XNV
ethyl (4R)-4-({(2S)-2-[3-{[(5-methyl-1,2-oxazol-3-.. A 100.0
/100.0 19
/19 R1A_SARS 3C-like proteinase nsp5

8dz0[1] E 7YY
6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1.. B 100.0
/96.1 1
/1 R1AB_SARS2 3C-like proteinase nsp5

8dz0[3] G 7YY
6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1.. B 100.0
/96.1 18
/18 R1AB_SARS2 3C-like proteinase nsp5

8uld[2] B WYR
N-[(benzyloxy)carbonyl]-4-fluoro-L-phenylalanyl-N-.. A 100.0
/100.0 19
/19 R1A_SARS Replicase polyprotein 1a

8y4e[2] C FHR
~{N}-[(2~{S})-3-cyclohexyl-1-oxidanylidene-1-[[(2~.. A 100.0
/100.0 17
/17 R1A_SARS 3C-like proteinase nsp5

4m0w[1] E NHE
2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID[13 atoms.. A 100.0
/99.7 7
/7 R1A_CVHSA Replicase polyprotein 1a

4m0w[1] F NHE
2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID[13 atoms.. A 100.0
/99.7 6
/6 R1A_CVHSA Replicase polyprotein 1a

4tww[2] C 3A7
(2S)-2-({[(3S,4aR,8aS)-2-(4-bromobenzoyl)decahydro.. A 93.3
/99.7 15
/15 R1AB_CVHSA 3C-like proteinase

4twy[2] B 3BL
(2S)-2-({[(3S,4aR,8aS)-2-(biphenyl-4-ylcarbonyl)de.. A 94.4
/99.7 18
/18 R1AB_CVHSA 3C-like proteinase

4wy3[1] B 3X5
(2S)-2-({[(3R,4aS,8aR)-2-(biphenyl-4-ylcarbonyl)de.. A 93.8
/99.7 16
/16 R1AB_CVHSA 3C-like proteinase

5c5n[2] B SLH
(2S)-3-(1H-imidazol-5-yl)-2-({[(3R,4aS,8aR)-2-(N-p.. A 93.3
/99.7 15
/15 R1AB_CVHSA 3C-like proteinase

6w2a[1] E QYS
(1S,2S)-2-[(N-{[(4,4-difluorocyclohexyl)methoxy]ca.. B 100.0
/99.7 18
/18 R1A_CVHSA Replicase polyprotein 1a

6w2a[1] C VDJ
[4,4-bis(fluoranyl)cyclohexyl]methyl ~{N}-[(2~{S}).. A 100.0
/99.7 16
/16 R1A_CVHSA Replicase polyprotein 1a

2qiq[2] B CYV
ETHYL (4R)-4-{[(2R,5S)-5-{[N-(TERT-BUTOXYCARBONYL).. A 100.0
/99.7 23
/23 R1AB_CVHSA Replicase polyprotein 1ab

5c5o[2] C SDJ
(2S)-3-(1H-imidazol-5-yl)-2-({[(3S,4aR,8aS)-2-(N-p.. A 94.1
/99.7 17
/17 R1AB_CVHSA 3C-like proteinase

7skr[2] B 9OZ
N-[(2-methoxypyridin-4-yl)methyl]-2-[(1R)-1-(napht.. A 100.0
/97.8 10
/10 Q0QDZ2_SARS 3C-like proteinase

3e9s[1] B TTT
5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]be.. A 100.0
/100.0 10
/10 R1A_CVHSA Non-structural protein 3

7skq[1] E TTT
5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]be.. A 100.0
/97.8 10
/10 Q0QDZ2_SARS 3C-like proteinase

7mpb[1] E ASC
ASCORBIC ACID[12 atoms] B 100.0
/96.1 10
/10 R1AB_SARS2 3C-like proteinase

2gx4[4] B NOL
N-[(BENZYLOXY)CARBONYL]-O-(TERT-BUTYL)-L-THREONYL-.. A 100.0
/100.0 22
/22 R1AB_CVHSA 3C-like proteinase

2gx4[2] B NOL
N-[(BENZYLOXY)CARBONYL]-O-(TERT-BUTYL)-L-THREONYL-.. A 100.0
/100.0 1
/1 R1AB_CVHSA 3C-like proteinase

6wnp[6] B U5G
boceprevir (bound form)[37 atoms] A 100.0
/96.1 19
/19 R1AB_SARS2 3C-like proteinase

6wtj[4] B K36
(1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino.. A 100.0
/96.1 13
/13 R1AB_SARS2 3C-like proteinase

6wtj[2] B K36
(1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino.. A 100.0
/96.1 1
/1 R1AB_SARS2 3C-like proteinase

6xqs[4] B SV6
(1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyr.. A 100.0
/96.1 19
/19 R1AB_SARS2 3C-like proteinase

6xqt[4] C NNA
(1R,2S,5S)-3-[N-({1-[(tert-butylsulfonyl)methyl]cy.. A 100.0
/96.1 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
/96.1 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
/96.1 1
/1 R1AB_SARS2 3C-like proteinase

6yvf[2] B A82
2-[[(1R)-1-(7-methyl-2-morpholin-4-yl-4-oxidanylid.. A 85.7
/96.1 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
/96.1 21
/21 R1AB_SARS2 3C-like proteinase

7abu[2] B R6Q
1'-[2-[4-(trifluoromethyl)phenyl]ethyl]spiro[1~{H}.. A 100.0
/96.1 4
/4 R1AB_SARS2 3C-like proteinase

7abu[2] B R6Q
1'-[2-[4-(trifluoromethyl)phenyl]ethyl]spiro[1~{H}.. A 100.0
/96.1 2
/2 R1AB_SARS2 3C-like proteinase

7ans[2] F RNW
2-[(diphenylmethyl)-oxidanyl-$l^{3}-sulfanyl]-~{N}.. A 92.3
/96.1 13
/13 R1AB_SARS2 3C-like proteinase

7aqe[2] E RV5
N-1,2,3-Benzothiadiazol-6-yl-N'-[2-oxo-2-(1-piperi.. A 90.9
/96.1 11
/11 R1AB_SARS2 3C-like proteinase

7avd[1] D S1W
3-[[5-[3-(dimethylamino)phenoxy]pyrimidin-2-yl]ami.. B 88.9
/96.1 9
/9 R1AB_SARS2 3C-like proteinase

7aww[2] B CLU
2,6-DICHLORO-N-IMIDAZOLIDIN-2-YLIDENEANILINE[14 at.. A 80.0
/96.1 5
/5 R1AB_SARS2 3C-like proteinase

7buy[2] B JRY
hexylcarbamic acid[9 atoms] A 100.0
/96.1 8
/8 R1AB_SARS2 3C-like proteinase

7cuu[5] D ALD
N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S)-1-hydroxy.. A 100.0
/96.1 19
/19 R1AB_SARS2 3C protein

7en9[2] B J7O
5-bromanyl-~{N}-methyl-3-nitro-2-[(4~{R},5~{S})-2-.. A 100.0
/96.1 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
/96.1 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
/96.1 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
/96.1 14
/14 R1AB_SARS2 3C-like proteinase

7ghq[1] E OYX
N-(2-cyclohexylethyl)-2-(isoquinolin-4-yl)-N-[(thi.. A 94.1
/96.1 17
/17 R1AB_SARS2 3C-like proteinase

7ghz[1] E PJX
(4R)-6-chloro-N-(isoquinolin-4-yl)-1-methyl-1,2,3,.. A 100.0
/96.1 14
/14 R1AB_SARS2 3C-like proteinase

7gi7[1] E QD9
N-[(3-chlorophenyl)methyl]-N-[5-(dimethylamino)pyr.. A 100.0
/96.1 18
/18 R1AB_SARS2 3C-like proteinase

7gih[1] F QG3
2-(3,5-difluorophenyl)-N-(isoquinolin-4-yl)acetami.. A 100.0
/96.1 14
/14 R1AB_SARS2 3C-like proteinase

7gij[1] F QGO
(4S)-6-chloro-4-[2-(dimethylamino)-2-oxoethyl]-N-(.. A 100.0
/96.1 14
/14 R1AB_SARS2 3C-like proteinase

7gij[1] G QGO
(4S)-6-chloro-4-[2-(dimethylamino)-2-oxoethyl]-N-(.. A 92.3
/96.1 13
/13 R1AB_SARS2 3C-like proteinase

7gjd[1] F QM9
(4S)-4-amino-6-chloro-N-(isoquinolin-4-yl)-3,4-dih.. A 100.0
/96.1 14
/14 R1AB_SARS2 3C-like proteinase

7gjf[1] F QMX
(4R)-6-chloro-N-(isoquinolin-4-yl)-4-({[(1-methyl-.. A 94.1
/96.1 17
/17 R1AB_SARS2 3C-like proteinase

7gjj[1] E QOO
2-{3-chloro-5-[4-(ethanesulfonyl)piperazin-1-yl]ph.. A 100.0
/96.1 18
/18 R1AB_SARS2 3C-like proteinase

7gl8[1] I KG9
(4S)-6-chloro-2-[(1-cyanocyclopropyl)methanesulfon.. A 100.0
/96.1 15
/15 R1AB_SARS2 3C-like proteinase

7gnj[2] I RZU
1-[(3'S)-6-chloro-1'-(isoquinolin-4-yl)-1,2'-dioxo.. A 100.0
/96.1 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
/96.1 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
/96.1 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
/96.1 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
/96.1 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
/96.1 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
/96.1 14
/14 R1AB_SARS2 3C-like proteinase

7gnq[1] G S5L
(4S)-2-[2-(4-acetamidoanilino)-2-oxoethyl]-6-chlor.. A 100.0
/96.1 15
/15 R1AB_SARS2 3C-like proteinase

7gnq[1] T S5L
(4S)-2-[2-(4-acetamidoanilino)-2-oxoethyl]-6-chlor.. A 100.0
/96.1 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
/96.1 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
/96.1 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
/96.1 16
/16 R1AB_SARS2 3C-like proteinase

7gre[1] C XWH
4-[3-(trifluoromethyl)-1H-pyrazol-5-yl]pyridine[15.. A 100.0
/96.1 7
/7 R1AB_SARS2 3C-like proteinase nsp5

7grg[1] C Y2C
3,5-dichloropyridin-4-amine[9 atoms] A 100.0
/96.1 7
/7 R1AB_SARS2 3C-like proteinase nsp5

7grg[1] G Y2C
3,5-dichloropyridin-4-amine[9 atoms] A 100.0
/96.1 1
/1 R1AB_SARS2 3C-like proteinase nsp5

7grh[1] K Y25
5-chloropyridin-3-ol[8 atoms] B 100.0
/96.1 1
/1 R1AB_SARS2 3C-like proteinase nsp5

7grh[1] W Y25
5-chloropyridin-3-ol[8 atoms] B 100.0
/96.1 7
/7 R1AB_SARS2 3C-like proteinase nsp5

7gro[1] C Y3N
N-[4-cyano-2-(trifluoromethyl)phenyl]acetamide[16 .. A 100.0
/96.1 6
/6 R1AB_SARS2 3C-like proteinase nsp5

7grs[1] Q NT9
~{N}-methyl-1-(4-thiophen-2-ylphenyl)methanamine[1.. B 100.0
/96.1 10
/10 R1AB_SARS2 3C-like proteinase nsp5

7grs[1] R NT9
~{N}-methyl-1-(4-thiophen-2-ylphenyl)methanamine[1.. B 100.0
/96.1 5
/5 R1AB_SARS2 3C-like proteinase nsp5

7gru[1] J Y0H
3-(4-chlorophenyl)-1-methyl-1H-pyrazol-5-amine[14 .. B 85.7
/96.1 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
/96.1 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
/96.1 9
/9 R1AB_SARS2 3C-like proteinase nsp5

7huc[2] B UIS
N-[3-(diethylamino)phenyl]ethanamide[15 atoms] A 100.0
/96.1 11
/11 R1AB_SARS2 3C-like proteinase nsp5

7huc[2] C UIS
N-[3-(diethylamino)phenyl]ethanamide[15 atoms] A 100.0
/96.1 6
/6 R1AB_SARS2 3C-like proteinase nsp5

7hue[2] B A1BNP
N-[(3R)-1,1-dioxo-1lambda~6~-thiolan-3-yl]-N,N',N'.. A 100.0
/96.1 10
/10 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
/96.1 20
/20 R1AB_SARS2 3C-like proteinase

7jw8[2] F BTB
2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PR.. A 100.0
/96.1 5
/5 R1AB_SARS2 3C-like proteinase

7l14[1] C XFD
2-{3-[3-chloro-5-(cyclopropylmethoxy)phenyl]-2-oxo.. A 100.0
/96.1 22
/22 R1AB_SARS2 3C-like proteinase

7lco[2] B XTJ
(3-fluorophenyl)methyl [(2S)-3-cyclopropyl-1-oxo-1.. A 100.0
/96.1 20
/20 R1AB_SARS2 3C-like proteinase

7lco[2] B XTJ
(3-fluorophenyl)methyl [(2S)-3-cyclopropyl-1-oxo-1.. A 100.0
/96.1 1
/1 R1AB_SARS2 3C-like proteinase

7lcr[2] C XTM
N~2~-{[(3-fluorophenyl)methoxy]carbonyl}-N-{(2S)-1.. A 100.0
/96.1 13
/13 R1AB_SARS2 3C-like proteinase

7lcr[1] D XTM
N~2~-{[(3-fluorophenyl)methoxy]carbonyl}-N-{(2S)-1.. A 100.0
/96.1 1
/1 R1AB_SARS2 3C-like proteinase

7lcs[2] B XTP
benzyl [(2S)-3-cyclopropyl-1-({(2S)-1-hydroxy-3-[(.. A 100.0
/96.1 17
/17 R1AB_SARS2 3C-like proteinase

7lcs[2] B XTP
benzyl [(2S)-3-cyclopropyl-1-({(2S)-1-hydroxy-3-[(.. A 100.0
/96.1 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
/96.1 19
/19 R1AB_SARS2 3C-like proteinase

7ldl[2] C XV4
N-[(2S)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin.. A 100.0
/96.1 18
/18 R1AB_SARS2 3C-like proteinase

7ltj[4] B YD1
6-[4-(3,4-dichlorophenyl)piperazin-1-yl]carbonyl-1.. A 100.0
/96.1 16
/16 R1AB_SARS2 3C-like proteinase

7n8c[2] B YD1
6-[4-(3,4-dichlorophenyl)piperazin-1-yl]carbonyl-1.. A 100.0
/96.1 1
/1 R1AB_SARS2 3C-like proteinase

7ltn[2] B YCV
2-[4-(1~{H}-indazol-4-yl)-2-methanoyl-6-methoxy-ph.. A 92.3
/96.1 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
/96.1 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
/96.1 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
/96.1 1
/1 R1AB_SARS2 3C-like proteinase

7mbi[1] G FN7
2,4,6-trimethylpyridine-3-carboxylic acid[12 atoms.. B 100.0
/96.1 3
/3 R1AB_SARS2 3C-like proteinase

7mng[2] B ZL7
(2R,3S)-N-cyclopropyl-3-{[(2R)-3-(cyclopropylmetha.. A 93.8
/96.1 16
/16 R1AB_SARS2 3C-like proteinase

7q5e[1] C 90I
benzyl (S)-2-(((S)-3,4-dioxo-1-((S)-2-oxopyrrolidi.. A 100.0
/96.1 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
/96.1 16
/16 R1AB_SARS2 3C-like proteinase

7r7h[2] C 4IT
N-[(2S)-1-({(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidi.. A 100.0
/96.1 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
/96.1 16
/16 R1AB_SARS2 3C-like proteinase

7rls[2] B 5YN
6-[4-(3,4,5-trichlorophenyl)piperazine-1-carbonyl].. A 100.0
/96.1 18
/18 R1AB_SARS2 3C-like proteinase

7rmb[2] B 5Z7
6-[4-(4-bromo-3-chlorophenyl)piperazine-1-carbonyl.. A 100.0
/96.1 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
/96.1 18
/18 R1AB_SARS2 3C-like proteinase

7rn4[2] B H69
6-[4-(3,4-dichlorophenyl)piperidine-1-carbonyl]pyr.. A 100.0
/96.1 16
/16 R1AB_SARS2 3C-like proteinase

7rnh[2] B 5ZW
6-[4-(4-chlorophenyl)piperazine-1-carbonyl]pyrimid.. A 100.0
/96.1 13
/13 R1AB_SARS2 3C-like proteinase

7rnk[2] B 5ZT
6-{4-[3-chloro-4-(hydroxymethyl)phenyl]piperazine-.. A 100.0
/96.1 17
/17 R1AB_SARS2 3C-like proteinase

7s3k[2] B Z26
2-(5-chloro-2-methoxyphenyl)-N-(isoquinolin-4-yl)a.. A 100.0
/96.1 14
/14 R1AB_SARS2 3C-like proteinase

7s3k[2] B Z26
2-(5-chloro-2-methoxyphenyl)-N-(isoquinolin-4-yl)a.. A 100.0
/96.1 1
/1 R1AB_SARS2 3C-like proteinase

7s3s[2] B 860
2-(3-chlorophenyl)-N-(isoquinolin-4-yl)acetamide[2.. A 100.0
/96.1 14
/14 R1AB_SARS2 3C-like proteinase

7s3s[2] B 860
2-(3-chlorophenyl)-N-(isoquinolin-4-yl)acetamide[2.. A 100.0
/96.1 1
/1 R1AB_SARS2 3C-like proteinase

7s4b[2] B 87H
(2R)-2-(3-fluorophenyl)-N-(isoquinolin-4-yl)propan.. A 100.0
/96.1 14
/14 R1AB_SARS2 3C-like proteinase

7s4b[2] B 87H
(2R)-2-(3-fluorophenyl)-N-(isoquinolin-4-yl)propan.. A 100.0
/96.1 1
/1 R1AB_SARS2 3C-like proteinase

7set[2] B I70
(1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(.. A 100.0
/96.1 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
/96.1 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
/96.1 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
/96.1 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
/96.1 19
/19 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
/96.1 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
/96.1 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
/96.1 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
/96.1 18
/18 R1AB_SARS2 3C-like proteinase

7tuu[2] B U88
5-nitro-1,3-thiazole[8 atoms] A 100.0
/96.1 5
/5 R1A_SARS2 3C-like proteinase nsp5

7tuu[2] C U88
5-nitro-1,3-thiazole[8 atoms] A 100.0
/96.1 3
/3 R1A_SARS2 3C-like proteinase nsp5

7tuu[2] D U88
5-nitro-1,3-thiazole[8 atoms] A 100.0
/96.1 4
/4 R1A_SARS2 3C-like proteinase nsp5

7tuu[2] D U88
5-nitro-1,3-thiazole[8 atoms] A 100.0
/96.1 1
/1 R1A_SARS2 3C-like proteinase nsp5

7u92[2] B M0C
(1R,2S,5S)-N-{(2S,3R)-4-(azetidin-1-yl)-3-hydroxy-.. A 100.0
/96.1 23
/23 R1AB_SARS2 3C-like proteinase

7ur9[2] C O5F
(2P)-2-(isoquinolin-4-yl)-1-[4-(methylamino)-4-oxo.. A 94.7
/96.1 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
/96.1 19
/19 R1A_SARS2 3C-like proteinase

7wo1[2] B 3XI
N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxidanylidene.. A 100.0
/96.1 1
/1 R1A_SARS2 3C-like proteinase

7xar[1] H BOV
4-fluoranyl-~{N}-[(2~{S})-1-[2-(2-fluoranylethanoy.. A 100.0
/96.1 16
/16 R1A_SARS2 3C-like proteinase

8a4q[2] B V9R
~{tert}-butyl ~{N}-[1-[(2~{R})-3-cyclopropyl-1-oxi.. A 91.7
/96.1 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
/96.1 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
/96.1 18
/18 R1AB_SARS2 Replicase polyprotein 1ab

8bgd[2] B QH0
(phenylmethyl) N-[(2S)-4-methyl-1-[[(2S)-4-nitro-1.. A 100.0
/96.1 17
/17 R1AB_SARS2 3C-like proteinase nsp5

8cyu[1] F P5X
N-[(4-chlorothiophen-2-yl)methyl]-N-[4-(dimethylam.. B 94.7
/96.1 19
/19 R1AB_SARS2 3C-like proteinase

8cz4[2] G P6R
N-(4-tert-butylphenyl)-N-[(4-chlorothiophen-2-yl)m.. C 94.7
/96.1 19
/19 R1AB_SARS2 3C-like proteinase

8cz4[1] F P6R
N-(4-tert-butylphenyl)-N-[(4-chlorothiophen-2-yl)m.. D 100.0
/96.1 1
/1 R1AB_SARS2 3C-like proteinase

8cz7[2] G P7L
N-[(4-chlorothiophen-2-yl)methyl]-2-(isoquinolin-4.. C 94.7
/96.1 19
/19 R1AB_SARS2 3C-like proteinase

8dl9[2] B T4V
1-{4-[(naphthalen-1-yl)methyl]piperazin-1-yl}ethan.. A 100.0
/96.1 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
/96.1 11
/11 R1AB_SARS2 3C-like proteinase

8dmd[2] B SVL
1-[(3R)-4-[(3-chlorophenyl)methyl]-3-(2-methylprop.. A 100.0
/96.1 10
/10 R1AB_SARS2 3C-like proteinase

8ezv[2] B X6O
(1R,2S,5S)-N-{(2S,3R)-4-(azetidin-1-yl)-3-hydroxy-.. A 100.0
/96.1 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
/96.1 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
/96.1 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
/96.1 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
/96.1 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
/96.1 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
/96.1 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
/96.1 1
/1 R1AB_SARS2 3C-like proteinase nsp5

8gtw[1] C K9U
(2S)-4-(3,4-dichlorophenyl)-1-[(2-oxidanylidene-1H.. A 100.0
/96.1 17
/17 R1A_SARS2 3C-like proteinase

8ift[2] B OZB
(8S)-N-[(1S)-1-cyano-2-[(3S)-2-oxidanylidenepyrrol.. A 100.0
/96.1 22
/22 R1A_SARS2 3C-like proteinase nsp5

8jcn[2] B AO0
1-[3-(diphenoxyphosphorylamino)phenyl]ethanone[26 .. A 100.0
/96.1 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
/96.1 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
/96.1 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
/96.1 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
/96.1 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
/96.1 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
/96.1 18
/18 R1AB_SARS2 3C-like proteinase nsp5

8p5c[1] C 9M5
~{N}-(4-~{tert}-butylphenyl)-~{N}-[(1~{S})-2-(cycl.. A 100.0
/96.1 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
/96.1 15
/15 R1A_SARS2 3C-like proteinase

8r12[1] C XH9
2-[[4-(5-chloranylpyridin-3-yl)carbonyl-1,4-diazep.. A 100.0
/96.1 16
/16 R1A_SARS2 3C-like proteinase

8r12[1] E XH9
2-[[4-(5-chloranylpyridin-3-yl)carbonyl-1,4-diazep.. A 100.0
/96.1 1
/1 R1A_SARS2 3C-like proteinase

8r14[1] C XHW
(5-chloranylpyridin-3-yl)-[4-[(2-chlorophenyl)meth.. A 100.0
/96.1 16
/16 R1A_SARS2 3C-like proteinase

8r14[1] H XHW
(5-chloranylpyridin-3-yl)-[4-[(2-chlorophenyl)meth.. A 100.0
/96.1 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
/96.1 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 93.8
/96.1 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
/96.1 16
/16 R1AB_SARS2 3C-like proteinase nsp5

8tbe[1] C ZQB
Pomotrelvir bound form[32 atoms] A 100.0
/96.1 20
/20 R1AB_SARS2 3C-like proteinase nsp5

8tbe[1] D ZQB
Pomotrelvir bound form[32 atoms] A 100.0
/96.1 1
/1 R1AB_SARS2 3C-like proteinase nsp5

8tqh[2] B JX6
N~2~-[(benzyloxy)carbonyl]-N-{(2R)-1-hydroxy-3-[(3.. A 100.0
/96.1 13
/13 R1AB_SARS2 3C-like proteinase nsp5

8tqj[2] B YHI
benzyl (1R,2S,5S)-2-({(2S)-1-hydroxy-3-[(3S)-2-oxo.. A 100.0
/96.1 14
/14 R1AB_SARS2 3C-like proteinase nsp5

8tql[2] B JY0
benzyl [(2S,3S)-3-tert-butoxy-1-({(2S)-1-hydroxy-3.. A 100.0
/96.1 16
/16 R1AB_SARS2 3C-like proteinase nsp5

8tqt[2] B K2X
(3-chlorophenyl)methyl [(2S)-3-cyclohexyl-1-({(1S,.. A 100.0
/96.1 16
/16 R1AB_SARS2 3C-like proteinase nsp5

8ty3[2] B SJF
(1S,3aR,6aS)-2-[(3,4-dichlorophenoxy)acetyl]-N-{(2.. A 100.0
/96.1 15
/15 R1AB_SARS2 3C-like proteinase nsp5

8ty4[2] B SO0
(1S,3aR,6aS)-2-[(2,4-dichlorophenoxy)acetyl]-N-{(2.. A 100.0
/96.1 16
/16 R1AB_SARS2 3C-like proteinase nsp5

8ty5[2] B SQ3
(1R,2S,5S)-3-[(2,4-dichlorophenoxy)acetyl]-N-{(2S).. A 100.0
/96.1 17
/17 R1AB_SARS2 3C-like proteinase nsp5

8u40[1] C V8X
N-[(2S)-3-cyclopropyl-1-({(1E,2R)-1-imino-3-[(3R)-.. A 100.0
/96.1 19
/19 R1AB_SARS2 3C-like proteinase nsp5

8u40[1] D V8X
N-[(2S)-3-cyclopropyl-1-({(1E,2R)-1-imino-3-[(3R)-.. A 100.0
/96.1 1
/1 R1AB_SARS2 3C-like proteinase nsp5

8u9h[2] B VZB
(1R,2S,5R)-3-[(cyclohexyloxy)acetyl]-N-{(2R)-1-hyd.. A 100.0
/96.1 18
/18 R1AB_SARS2 3C-like proteinase nsp5

8u9k[2] B W0B
diphenylmethyl (1R,2S,5R)-2-({(2R)-1-hydroxy-3-[(3.. A 100.0
/96.1 17
/17 R1AB_SARS2 3C-like proteinase nsp5

8u9m[2] B VZT
bis(4-fluorophenyl)methyl (1R,2S,5R)-2-({(2R)-1-hy.. A 100.0
/96.1 16
/16 R1AB_SARS2 3C-like proteinase nsp5

8u9n[2] B W0L
(1R,2S,5S)-3-[bis(4-chlorophenyl)acetyl]-N-{(2S)-1.. A 100.0
/96.1 18
/18 R1AB_SARS2 3C-like proteinase nsp5

8u9t[2] B W1L
(1R,2S,5S)-N~3~,N~3~-bis(4-chlorophenyl)-N~2~-{(2S.. A 100.0
/96.1 17
/17 R1AB_SARS2 3C-like proteinase nsp5

8u9u[2] B W0W
(1R,2S,5S)-3-[bis(4-chlorophenoxy)acetyl]-N-{(2S)-.. A 100.0
/96.1 18
/18 R1AB_SARS2 3C-like proteinase nsp5

8u9v[2] B W1C
N-{(2R)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]pro.. A 100.0
/96.1 13
/13 R1AB_SARS2 3C-like proteinase nsp5

8u9w[2] B W1U
N-{(2R)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]pro.. A 100.0
/96.1 15
/15 R1AB_SARS2 3C-like proteinase nsp5

8uab[2] B W28
N-[(2S)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin.. A 100.0
/96.1 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 96.0
/96.1 25
/25 R1AB_SARS2 3C-like proteinase nsp5

8vsg[1] P A1AD0
(1R,2S,5S)-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolid.. B 100.0
/96.1 17
/17 R1AB_SARS2 3C-like proteinase nsp5

8w1t[1] H A1A21
(5-bromopyridin-3-yl){4-[(R)-(4-chlorophenyl)(phen.. A 94.1
/96.1 17
/17 R1A_SARS2 3C-like proteinase nsp5

8w1t[1] O A1A21
(5-bromopyridin-3-yl){4-[(R)-(4-chlorophenyl)(phen.. A 100.0
/96.1 1
/1 R1A_SARS2 3C-like proteinase nsp5

8w1t[1] I A1AFD
(5-bromopyridin-3-yl){4-[(S)-(4-chlorophenyl)(phen.. A 100.0
/96.1 17
/17 R1A_SARS2 3C-like proteinase nsp5

8w1t[1] N A1AFD
(5-bromopyridin-3-yl){4-[(S)-(4-chlorophenyl)(phen.. A 100.0
/96.1 1
/1 R1A_SARS2 3C-like proteinase nsp5

8yls[2] B A1LYZ
(4-methoxyphenyl)methyl ~{N}-[(2~{S})-4-methyl-1-o.. A 100.0
/96.1 15
/15 R1A_SARS2 3C-like proteinase nsp5

9arq[2] B T2L
(1R,2S,5S)-N-{(1S,2S)-1-(4-fluoro-1,3-benzothiazol.. A 100.0
/96.1 22
/22 R1AB_SARS2 3C-like proteinase nsp5

9bqg[2] B A1AQ3
benzyl (2S,4S)-4-tert-butoxy-2-({(2R)-1-hydroxy-3-.. A 100.0
/96.1 17
/17 R1AB_SARS2 3C-like proteinase nsp5

9bql[2] B A1ARG
O-tert-butyl-N-[(cyclopropylmethoxy)carbonyl]-L-th.. A 100.0
/96.1 20
/20 R1AB_SARS2 3C-like proteinase nsp5

9bqm[2] B A1ARI
O-tert-butyl-N-{[(propan-2-yl)oxy]carbonyl}-L-thre.. A 100.0
/96.1 19
/19 R1AB_SARS2 3C-like proteinase nsp5

9bqn[2] B A1ARK
O-tert-butyl-N-[(2,2,2-trifluoroethoxy)carbonyl]-L.. A 100.0
/96.1 21
/21 R1AB_SARS2 3C-like proteinase nsp5

9bqo[2] B A1ARM
N-[(benzyloxy)carbonyl]-O-tert-butyl-L-threonyl-3-.. A 100.0
/96.1 20
/20 R1AB_SARS2 3C-like proteinase nsp5

9bqp[2] B A1ARN
propan-2-yl {(2R)-1-[(1R,2S,5R)-2-({(2R)-1-hydroxy.. A 100.0
/96.1 16
/16 R1AB_SARS2 3C-like proteinase nsp5

9bqq[2] B A1ARH
N-[(benzyloxy)carbonyl]-O-tert-butyl-L-threonyl-3-.. A 100.0
/96.1 22
/22 R1AB_SARS2 3C-like proteinase nsp5

9bqt[2] B A1ARS
N-[(benzyloxy)carbonyl]-O-tert-butyl-L-threonyl-3-.. A 100.0
/96.1 19
/19 R1AB_SARS2 3C-like proteinase nsp5

9bqy[2] B A1ART
(1R,2S,5R)-3-[N-(3,3-dimethylbutanoyl)-3-methyl-L-.. A 100.0
/96.1 17
/17 R1AB_SARS2 3C-like proteinase nsp5

9bqz[2] B A1ARV
(1H-indol-4-yl)methanol[11 atoms] A 100.0
/96.1 6
/6 R1AB_SARS2 3C-like proteinase nsp5

9br0[2] B A1ARU
O-tert-butyl-N-(trifluoroacetyl)-L-threonyl-3-cycl.. A 100.0
/96.1 20
/20 R1AB_SARS2 3C-like proteinase nsp5

9br1[2] B A1ARR
N-[(benzyloxy)carbonyl]-O-tert-butyl-L-threonyl-N-.. A 100.0
/96.1 23
/23 R1AB_SARS2 3C-like proteinase nsp5

9bs7[2] B A1AR3
3-ethenylpyridine[8 atoms] A 100.0
/96.1 8
/8 R1AB_SARS2 3C-like proteinase nsp5

9bs8[2] B A1AR4
benzyl (7S)-7-({(2R)-1-hydroxy-3-[(3S)-2-oxopyrrol.. A 100.0
/96.1 16
/16 R1AB_SARS2 3C-like proteinase nsp5

9bsa[2] B A1AR5
2,2-dichloro-N-(5-chloropyridin-3-yl)-N-phenylacet.. A 100.0
/96.1 7
/7 R1AB_SARS2 3C-like proteinase nsp5

9bse[2] B A1AR6
(3S)-N-{(2S)-1-amino-3-[(3S)-2-oxopyrrolidin-3-yl].. A 100.0
/96.1 22
/22 R1AB_SARS2 3C-like proteinase nsp5

9bsf[2] B A1AR7
N-(4-tert-butylphenyl)-2,2-dichloro-N-(5-chloropyr.. A 90.0
/96.1 10
/10 R1AB_SARS2 3C-like proteinase nsp5

9bsg[2] B A1AR8
methyl 4-[(5-chloropyridin-3-yl)(phenyl)amino]-4-o.. A 100.0
/96.1 14
/14 R1AB_SARS2 3C-like proteinase nsp5

9bsi[2] B A1AR9
N-[(1M)-3'-chloro[1,1'-biphenyl]-3-yl]-N-(5-chloro.. A 100.0
/96.1 14
/14 R1AB_SARS2 3C-like proteinase nsp5

9bso[2] B A1ARW
N-[(1M)-3'-chloro[1,1'-biphenyl]-3-yl]-N-(5-chloro.. A 100.0
/96.1 14
/14 R1AB_SARS2 3C-like proteinase nsp5

9bsp[2] B A1ARX
methyl 4-{[(1M)-3'-chloro[1,1'-biphenyl]-3-yl](5-c.. A 100.0
/96.1 17
/17 R1AB_SARS2 3C-like proteinase nsp5

9bsq[2] B A1ARY
(2R)-N-[(1M)-3'-chloro[1,1'-biphenyl]-3-yl]-N-(5-c.. A 100.0
/96.1 14
/14 R1AB_SARS2 3C-like proteinase nsp5

9bsq[2] B A1ARY
(2R)-N-[(1M)-3'-chloro[1,1'-biphenyl]-3-yl]-N-(5-c.. A 100.0
/96.1 1
/1 R1AB_SARS2 3C-like proteinase nsp5

9bsr[2] B A1ASA
(1R,2S,5R)-N-[(1R)-1-(7-fluoroisoquinolin-4-yl)-2-.. A 100.0
/96.1 19
/19 R1AB_SARS2 3C-like proteinase nsp5

9bst[2] B A5Z
[3-[2,6-bis(chloranyl)phenyl]-5-methyl-1,2-oxazol-.. A 100.0
/96.1 7
/7 R1AB_SARS2 3C-like proteinase nsp5

9bte[2] B A1ASF
4-[5-[4-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]-1,.. A 100.0
/96.1 10
/10 R1AB_SARS2 3C-like proteinase nsp5

9btf[2] B A1ASH
(1R,2S,5S)-N-[(1R)-1-(5-fluoropyridin-3-yl)-2-imin.. A 100.0
/96.1 18
/18 R1AB_SARS2 3C-like proteinase nsp5

9btf[2] B A1ASH
(1R,2S,5S)-N-[(1R)-1-(5-fluoropyridin-3-yl)-2-imin.. A 100.0
/96.1 1
/1 R1AB_SARS2 3C-like proteinase nsp5

9btk[2] B A1ASG
(1R,2S,5R)-N-[(1R)-2-imino-1-(isoquinolin-4-yl)eth.. A 100.0
/96.1 18
/18 R1AB_SARS2 3C-like proteinase nsp5

9btr[2] B A1ASI
2-chloro-N-[(3P)-3-(5-chloro-2-methyl-2H-indazol-7.. A 100.0
/96.1 15
/15 R1AB_SARS2 3C-like proteinase nsp5

9btt[2] B A1ASJ
(1R,2S,5S)-N-[(1R)-1-(5-chloropyridin-3-yl)-2-imin.. A 100.0
/96.1 17
/17 R1AB_SARS2 3C-like proteinase nsp5

9bvw[2] B A1AS2
(1R,2S,5R)-N-[(1R)-1-(8-fluoroisoquinolin-4-yl)-2-.. A 100.0
/96.1 18
/18 R1AB_SARS2 3C-like proteinase nsp5

9bvw[2] B A1AS2
(1R,2S,5R)-N-[(1R)-1-(8-fluoroisoquinolin-4-yl)-2-.. A 100.0
/96.1 1
/1 R1AB_SARS2 3C-like proteinase nsp5

9bvx[2] B A1AS3
(1R,2S,5R)-N-[(1R)-1-(5-fluoroisoquinolin-4-yl)-2-.. A 100.0
/96.1 18
/18 R1AB_SARS2 3C-like proteinase nsp5

9bvz[2] B A1AS4
[2-(iminomethyl)pyridin-3-yl]boronic acid[11 atoms.. A 100.0
/96.1 8
/8 R1AB_SARS2 3C-like proteinase nsp5

9f2v[1] C A1H9E
~{tert}-butyl ~{N}-[1-[(2~{S})-1-[[(2~{R},3~{S})-4.. A 100.0
/96.1 18
/18 R1AB_SARS2 3C-like proteinase nsp5

9f2v[1] D A1H9E
~{tert}-butyl ~{N}-[1-[(2~{S})-1-[[(2~{R},3~{S})-4.. A 100.0
/96.1 1
/1 R1AB_SARS2 3C-like proteinase nsp5

9gil[2] C A1IL7
(7~{R},11~{R},19~{E})-11-[(4-chlorophenyl)methyl]-.. A 100.0
/96.1 15
/15 R1A_SARS2 3C-like proteinase nsp5

9haj[1] C A1ITJ
(5~{R})-4-[(4-bromanyl-2-ethyl-phenyl)methyl]-1-(5.. A 94.7
/96.1 19
/19 R1A_SARS2 3C-like proteinase nsp5

9haj[1] D A1ITJ
(5~{R})-4-[(4-bromanyl-2-ethyl-phenyl)methyl]-1-(5.. A 100.0
/96.1 1
/1 R1A_SARS2 3C-like proteinase nsp5

9hdn[2] E A1IT2
(1~{R})-~{N}-[2-(diphenylamino)-2-oxidanylidene-et.. A 100.0
/96.1 15
/15 R1AB_SARS2 3C-like proteinase nsp5

9nwa[2] B A1B7C
(1R,2S,5S)-N-{(1S,2S)-1-(5-chloro-1,3-benzothiazol.. A 96.0
/96.1 25
/25 R1AB_SARS2 3C-like proteinase nsp5

9nwb[2] B A1B7A
(1R,2S,5S)-N-{(1S,2R)-1-hydroxy-1-(5-iodo-1,3-benz.. A 96.0
/96.1 25
/25 A0A8B1JK87_SARS2 ORF1a polyprotein

9nwb[2] B A1B7A
(1R,2S,5S)-N-{(1S,2R)-1-hydroxy-1-(5-iodo-1,3-benz.. A 100.0
/96.1 1
/1 A0A8B1JK87_SARS2 ORF1a polyprotein

9nwc[2] C A1B7B
(1R,2S,5S)-N-{(1S,2S)-1-(5-bromo-1,3-benzothiazol-.. A 96.0
/96.1 25
/25 R1AB_SARS2 3C-like proteinase nsp5

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

4382 pdb_id contact mol homologue

a³ description a⁴ identity[%]⁵ Ncon⁶ description

2z9g[2] B HG
MERCURY (II) ION[1 atoms] A 100.0
/100.0 4
/4 R1AB_CVHSA 3C-like proteinase

7lfv[1] DA NH4
AMMONIUM ION[1 atoms] B 100.0
/100.0 2
/2 R1A_SARS papain-like protease

2fe8[17] D ZN
ZINC ION[1 atoms] A 100.0
/100.0 4
/4 R1AB_CVHSA Replicase polyprotein 1ab

2z94[30] B ZN
ZINC ION[1 atoms] A 100.0
/100.0 2
/2 R1AB_CVHSA Replicase polyprotein 1ab

3e9s[1] C ZN
ZINC ION[1 atoms] A 100.0
/100.0 5
/5 R1A_CVHSA Non-structural protein 3

5tl6[7] E ZN
ZINC ION[1 atoms] A 100.0
/100.0 4
/4 R1AB_CVHSA Replicase polyprotein 1ab

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

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

7msw[2] B ZN
ZINC ION[1 atoms] A 100.0
/68.3 5
/5 R1AB_SARS2 Non-structural protein 2

7msw[2] D ZN
ZINC ION[1 atoms] A 100.0
/68.3 4
/4 R1AB_SARS2 Non-structural protein 2

7skq[1] D ZN
ZINC ION[1 atoms] A 100.0
/97.8 3
/3 Q0QDZ2_SARS 3C-like proteinase

7skq[1] H ZN
ZINC ION[1 atoms] A 100.0
/97.8 2
/2 Q0QDZ2_SARS 3C-like proteinase

7skr[2] E ZN
ZINC ION[1 atoms] A 66.7
/97.8 3
/3 Q0QDZ2_SARS 3C-like proteinase

2a5a[2] B CL
CHLORIDE ION[1 atoms] A 100.0
/100.0 2
/2 R1AB_CVHSA 3C-like peptidase

3e9s[1] D CL
CHLORIDE ION[1 atoms] A 100.0
/100.0 2
/2 R1A_CVHSA Non-structural protein 3

3e9s[1] E CL
CHLORIDE ION[1 atoms] A 100.0
/100.0 4
/4 R1A_CVHSA Non-structural protein 3

6ynq[6] D CL
CHLORIDE ION[1 atoms] A 100.0
/96.1 1
/1 R1AB_SARS2 3C-like proteinase

6yvf[2] C CL
CHLORIDE ION[1 atoms] A 100.0
/96.1 5
/5 R1AB_SARS2 3C-like proteinase

6yvf[2] D CL
CHLORIDE ION[1 atoms] A 100.0
/96.1 1
/1 R1AB_SARS2 3C-like proteinase

6yvf[2] D CL
CHLORIDE ION[1 atoms] A 100.0
/96.1 4
/4 R1AB_SARS2 3C-like proteinase

6z2e[54] C CL
CHLORIDE ION[1 atoms] A 33.3
/96.1 3
/3 R1AB_SARS2 3C-like proteinase

6z2e[2] D CL
CHLORIDE ION[1 atoms] A 80.0
/96.1 5
/5 R1AB_SARS2 3C-like proteinase

7af0[2] D CL
CHLORIDE ION[1 atoms] A 100.0
/96.1 2
/2 R1AB_SARS2 3C-like proteinase

7avd[2] C CL
CHLORIDE ION[1 atoms] A 100.0
/96.1 7
/7 R1AB_SARS2 3C-like proteinase

7gav[28] H CL
CHLORIDE ION[1 atoms] A 100.0
/96.1 3
/3 R1AB_SARS2 3C-like proteinase

7gnp[2] P CL
CHLORIDE ION[1 atoms] A 100.0
/96.1 3
/3 R1AB_SARS2 3C-like proteinase

7gnq[1] O CL
CHLORIDE ION[1 atoms] A 100.0
/96.1 2
/2 R1AB_SARS2 3C-like proteinase

7grx[3] Q CL
CHLORIDE ION[1 atoms] B 100.0
/96.1 2
/2 R1AB_SARS2 3C-like proteinase nsp5

7k0h[1] C CL
CHLORIDE ION[1 atoms] A 100.0
/100.0 3
/3 R1A_CVHSA Replicase polyprotein 1a

7k0h[1] D CL
CHLORIDE ION[1 atoms] A 100.0
/100.0 1
/1 R1A_CVHSA Replicase polyprotein 1a

7lfv[1] FA CL
CHLORIDE ION[1 atoms] B 100.0
/100.0 1
/1 R1A_SARS papain-like protease

7q5e[1] E CL
CHLORIDE ION[1 atoms] A 100.0
/96.1 1
/1 R1AB_SARS2 3C-like proteinase

7xar[1] F CL
CHLORIDE ION[1 atoms] A 100.0
/96.1 1
/1 R1A_SARS2 3C-like proteinase

7xar[1] G CL
CHLORIDE ION[1 atoms] A 100.0
/96.1 2
/2 R1A_SARS2 3C-like proteinase

8r11[2] G CL
CHLORIDE ION[1 atoms] A 100.0
/96.1 3
/3 R1A_SARS2 3C-like proteinase

8r14[2] G CL
CHLORIDE ION[1 atoms] A 100.0
/96.1 1
/1 R1A_SARS2 3C-like proteinase

2fe8[6] E BR
BROMIDE ION[1 atoms] A 100.0
/100.0 4
/4 R1AB_CVHSA Replicase polyprotein 1ab

2fe8[6] F BR
BROMIDE ION[1 atoms] A 100.0
/100.0 3
/3 R1AB_CVHSA Replicase polyprotein 1ab

2fe8[6] G BR
BROMIDE ION[1 atoms] A 100.0
/100.0 4
/4 R1AB_CVHSA Replicase polyprotein 1ab

8r11[3] E BR
BROMIDE ION[1 atoms] A 33.3
/96.1 3
/3 R1A_SARS2 3C-like proteinase

8r11[1] F BR
BROMIDE ION[1 atoms] A 100.0
/96.1 3
/3 R1A_SARS2 3C-like proteinase

4m0w[1] D NA
SODIUM ION[1 atoms] A 80.0
/99.7 5
/5 R1A_CVHSA Replicase polyprotein 1a

5y3e[2] C NA
SODIUM ION[1 atoms] A 100.0
/100.0 4
/4 R1A_CVHSA Replicase polyprotein 1a

5y3e[2] D NA
SODIUM ION[1 atoms] A 100.0
/100.0 5
/5 R1A_CVHSA Replicase polyprotein 1a

5y3e[2] E NA
SODIUM ION[1 atoms] A 100.0
/100.0 6
/6 R1A_CVHSA Replicase polyprotein 1a

5y3e[2] F NA
SODIUM ION[1 atoms] A 100.0
/100.0 3
/3 R1A_CVHSA Replicase polyprotein 1a

5y3e[2] G NA
SODIUM ION[1 atoms] A 100.0
/100.0 7
/7 R1A_CVHSA Replicase polyprotein 1a

6xbi[1] G NA
SODIUM ION[1 atoms] A 100.0
/96.1 3
/3 R1AB_SARS2 3C-like proteinase

6z2e[2] E NA
SODIUM ION[1 atoms] A 100.0
/96.1 4
/4 R1AB_SARS2 3C-like proteinase

7gnp[1] O NA
SODIUM ION[1 atoms] A 100.0
/96.1 2
/2 R1AB_SARS2 3C-like proteinase

7gre[2] H NA
SODIUM ION[1 atoms] A 100.0
/96.1 2
/2 R1AB_SARS2 3C-like proteinase nsp5

7grh[13] P NA
SODIUM ION[1 atoms] B 100.0
/96.1 4
/4 R1AB_SARS2 3C-like proteinase nsp5

7gro[3] U NA
SODIUM ION[1 atoms] A 100.0
/96.1 1
/1 R1AB_SARS2 3C-like proteinase nsp5

7jyc[4] G NA
SODIUM ION[1 atoms] A 33.3
/96.1 3
/3 R1AB_SARS2 3C-like proteinase

7ntt[1] C NA
SODIUM ION[1 atoms] A 100.0
/96.1 6
/6 R1A_SARS2 3C-like proteinase

7ntt[1] C NA
SODIUM ION[1 atoms] B 100.0
/96.1 1
/1 R1A_SARS2 3C-like proteinase

8p54[2] E NA
SODIUM ION[1 atoms] A 100.0
/96.1 3
/3 R1AB_SARS2 3C-like proteinase nsp5

5e6j[1] H NI
NICKEL (II) ION[1 atoms] A 50.0
/99.1 2
/2 R1AB_CVHSA Replicase polyprotein 1ab

7xar[1] C NI
NICKEL (II) ION[1 atoms] A 100.0
/96.1 2
/2 R1A_SARS2 3C-like proteinase

7xar[1] D NI
NICKEL (II) ION[1 atoms] A 100.0
/96.1 1
/1 R1A_SARS2 3C-like proteinase

7xar[1] E NI
NICKEL (II) ION[1 atoms] A 100.0
/96.1 1
/1 R1A_SARS2 3C-like proteinase

7xar[1] J NI
NICKEL (II) ION[1 atoms] A 100.0
/96.1 1
/1 R1A_SARS2 3C-like proteinase

6yvf[2] L CA
CALCIUM ION[1 atoms] A 100.0
/96.1 1
/1 R1AB_SARS2 3C-like proteinase

7lcp[2] D CA
CALCIUM ION[1 atoms] A 100.0
/100.0 3
/3 R1AB_SARS 3C-like proteinase

7lcp[2] E CA
CALCIUM ION[1 atoms] A 100.0
/100.0 3
/3 R1AB_SARS 3C-like proteinase

7sfh[4] C CA
CALCIUM ION[1 atoms] A 100.0
/96.1 1
/1 R1AB_SARS2 3C-like proteinase

9eo6[4] M K
POTASSIUM ION[1 atoms] A 75.0
/96.1 4
/4 R1AB_SARS2 3C-like proteinase nsp5

9eo6[4] N K
POTASSIUM ION[1 atoms] B 100.0
/96.1 6
/6 R1AB_SARS2 3C-like proteinase nsp5

9eor[1] N K
POTASSIUM ION[1 atoms] A 100.0
/96.1 6
/6 R1AB_SARS2 3C-like proteinase nsp5

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

4382 pdb_id contact mol homologue

a³ description a⁴ identity[%]⁵ Ncon⁶ description

2fe8[6] B R1AB_CVHSA Replicase polyprotein 1ab[314 aa] A 100.0
/100.0 23
/23 R1AB_CVHSA Replicase polyprotein 1ab

2fe8[6] B R1AB_CVHSA Replicase polyprotein 1ab[314 aa] A 100.0
/100.0 8
/9 R1AB_CVHSA Replicase polyprotein 1ab

2fe8[7] C R1AB_CVHSA Replicase polyprotein 1ab[313 aa] A 100.0
/100.0 18
/18 R1AB_CVHSA Replicase polyprotein 1ab

7skq[1] B Q0QDZ2_SARS 3C-like proteinase[304 aa] A 100.0
/97.8 20
/20 Q0QDZ2_SARS 3C-like proteinase

7skr[2] A Q0QDZ2_SARS 3C-like proteinase[314 aa] A 100.0
/97.8 27
/27 Q0QDZ2_SARS 3C-like proteinase

1uj1[662] B R1AB_CVHSA 3C-like proteinase[302 aa] A 100.0
/100.0 29
/29 R1AB_CVHSA 3C-like proteinase

2gtb[2] A R1AB_CVHSA 3C-like proteinase[299 aa] A 100.0
/100.0 2
/2 R1AB_CVHSA 3C-like proteinase

2z3e[3] A R1AB_CVHSA Replicase polyprotein 1ab (pp1ab)[306 aa] A 100.0
/100.0 5
/5 R1AB_CVHSA Replicase polyprotein 1ab (pp1ab)

3iwm[4] A R1A_CVHSA 3C-like proteinase[301 aa] A 100.0
/100.0 4
/4 R1A_CVHSA 3C-like proteinase

3iwm[8] B R1A_CVHSA 3C-like proteinase[301 aa] A 100.0
/100.0 1
/1 R1A_CVHSA 3C-like proteinase

3iwm[8] C R1A_CVHSA 3C-like proteinase[300 aa] A 100.0
/100.0 72
/72 R1A_CVHSA 3C-like proteinase

3iwm[8] D R1A_CVHSA 3C-like proteinase[300 aa] A 100.0
/100.0 3
/3 R1A_CVHSA 3C-like proteinase

3iwm[8] D R1A_CVHSA 3C-like proteinase[300 aa] A 100.0
/100.0 5
/5 R1A_CVHSA 3C-like proteinase

7e5x[1] C R1AB_SARS2 3C-like proteinase[306 aa] A 100.0
/96.1 18
/18 R1AB_SARS2 3C-like proteinase

7e5x[1] C R1AB_SARS2 3C-like proteinase[306 aa] B 100.0
/96.1 4
/4 R1AB_SARS2 3C-like proteinase

7e5x[1] A R1AB_SARS2 3C-like proteinase[306 aa] C 100.0
/96.1 7
/7 R1AB_SARS2 3C-like proteinase

7rmt[2] A R1AB_SARS2 3C-like proteinase[306 aa] A 90.9
/96.1 11
/11 R1AB_SARS2 3C-like proteinase

8uld[2] A R1A_SARS Replicase polyprotein 1a[305 aa] A 100.0
/100.0 31
/31 R1A_SARS Replicase polyprotein 1a

8yax[6] A R1AB_SARS2 Papain-like protease nsp3[1314 aa] A 88.6
/81.1 44
/44 R1AB_SARS2 Papain-like protease nsp3

8yax[6] A R1AB_SARS2 Papain-like protease nsp3[1314 aa] A 91.7
/81.1 48
/48 R1AB_SARS2 Papain-like protease nsp3

8yax[6] A R1AB_SARS2 Papain-like protease nsp3[1314 aa] B 100.0
/83.8 7
/7 R1AB_SARS2 Papain-like protease nsp3

8yax[6] A R1AB_SARS2 Papain-like protease nsp3[1314 aa] B 100.0
/83.8 24
/24 R1AB_SARS2 Papain-like protease nsp3

8yax[6] A R1AB_SARS2 Papain-like protease nsp3[1314 aa] B 88.2
/83.8 17
/17 R1AB_SARS2 Papain-like protease nsp3

8yb5[12] A R1AB_SARS2 Papain-like protease nsp3[353 aa] A 88.9
/83.6 9
/9 R1AB_SARS2 Papain-like protease nsp3

8yb5[12] A R1AB_SARS2 Papain-like protease nsp3[353 aa] A 88.9
/83.6 9
/9 R1AB_SARS2 Papain-like protease nsp3

8yb5[12] B R1AB_SARS2 Papain-like protease nsp3[361 aa] A 88.9
/83.6 9
/9 R1AB_SARS2 Papain-like protease nsp3

8yb5[12] B R1AB_SARS2 Papain-like protease nsp3[361 aa] A 100.0
/83.6 4
/4 R1AB_SARS2 Papain-like protease nsp3

8yb5[12] B R1AB_SARS2 Papain-like protease nsp3[361 aa] A 91.7
/83.6 12
/12 R1AB_SARS2 Papain-like protease nsp3

8yb5[12] A R1AB_SARS2 Papain-like protease nsp3[353 aa] B 100.0
/83.1 6
/6 R1AB_SARS2 Papain-like protease nsp3

8yb5[12] A R1AB_SARS2 Papain-like protease nsp3[353 aa] B 100.0
/83.1 13
/13 R1AB_SARS2 Papain-like protease nsp3

8yb5[12] A R1AB_SARS2 Papain-like protease nsp3[353 aa] B 50.0
/83.1 4
/4 R1AB_SARS2 Papain-like protease nsp3

8yax[6] B R1AB_SARS2 Papain-like protease nsp3[543 aa] A 88.9
/81.1 9
/9 R1AB_SARS2 Papain-like protease nsp3

8yax[6] B R1AB_SARS2 Papain-like protease nsp3[543 aa] A 93.3
/81.1 15
/15 R1AB_SARS2 Papain-like protease nsp3

8yax[6] B R1AB_SARS2 Papain-like protease nsp3[543 aa] A 91.7
/81.1 24
/24 R1AB_SARS2 Papain-like protease nsp3

8yax[36] C R1AB_SARS2 Non-structural protein 4[371 aa] C 100.0
/79.8 12
/12 R1AB_SARS2 Non-structural protein 4

8yax[18] D R1AB_SARS2 Non-structural protein 4[371 aa] C 50.0
/79.8 4
/4 R1AB_SARS2 Non-structural protein 4

8yax[18] D R1AB_SARS2 Non-structural protein 4[371 aa] C 50.0
/79.8 6
/6 R1AB_SARS2 Non-structural protein 4

8yax[18] D R1AB_SARS2 Non-structural protein 4[371 aa] C 66.7
/79.8 3
/3 R1AB_SARS2 Non-structural protein 4

8yax[36] D R1AB_SARS2 Non-structural protein 4[371 aa] C 100.0
/79.8 3
/3 R1AB_SARS2 Non-structural protein 4

8yax[18] C R1AB_SARS2 Non-structural protein 4[371 aa] D 100.0
/79.8 4
/4 R1AB_SARS2 Non-structural protein 4

8yax[18] C R1AB_SARS2 Non-structural protein 4[371 aa] D 50.0
/79.8 2
/2 R1AB_SARS2 Non-structural protein 4

8yax[18] C R1AB_SARS2 Non-structural protein 4[371 aa] D 71.4
/79.8 7
/7 R1AB_SARS2 Non-structural protein 4

8yax[18] D R1AB_SARS2 Non-structural protein 4[371 aa] D 100.0
/79.8 3
/3 R1AB_SARS2 Non-structural protein 4

8yax[18] D R1AB_SARS2 Non-structural protein 4[371 aa] D 75.0
/79.8 4
/4 R1AB_SARS2 Non-structural protein 4

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

4382 pdb_id contact mol homologue

a³ description a⁴ identity[%]⁵ Ncon⁶ description

2gt7[1] C MES
2-(N-MORPHOLINO)-ETHANESULFONIC ACID[12 atoms] B 100.0
/100.0 1
/1 R1AB_CVHSA 3C-like proteinase

2v6n[8] C MES
2-(N-MORPHOLINO)-ETHANESULFONIC ACID[12 atoms] A 100.0
/100.0 5
/5 R1AB_CVHSA REPLICASE POLYPROTEIN 1AB

6w79[4] E MES
2-(N-MORPHOLINO)-ETHANESULFONIC ACID[12 atoms] A 100.0
/100.0 3
/3 Main protease

2gtb[2] C ACY
ACETIC ACID[4 atoms] A 100.0
/100.0 5
/5 R1AB_CVHSA 3C-like proteinase

2z9g[2] C BNZ
BENZENE[6 atoms] A 100.0
/100.0 7
/7 R1AB_CVHSA 3C-like proteinase

2z9j[2] E DTZ
zinc(II)hydrogensulfide[3 atoms] A 100.0
/100.0 4
/4 R1AB_CVHSA 3C-like proteinase

2z9k[2] E DOZ
(dimethylamino)(hydroxy)zinc'[5 atoms] A 100.0
/100.0 5
/5 R1AB_CVHSA 3C-like proteinase

2z9l[2] E DAZ
diaminozinc[3 atoms] A 100.0
/100.0 2
/2 R1AB_CVHSA 3C-like proteinase

3snd[1] E MRD
(4R)-2-METHYLPENTANE-2,4-DIOL[8 atoms] A 100.0
/100.0 6
/6 R1A_CVHSA 3C-like proteinase

5y3q[1] C BME
BETA-MERCAPTOETHANOL[4 atoms] A 100.0
/100.0 6
/6 R1A_CVHSA Replicase polyprotein 1a

7k0h[1] G PG4
TETRAETHYLENE GLYCOL[13 atoms] B 100.0
/100.0 10
/10 R1A_CVHSA Replicase polyprotein 1a

7mpb[1] F ETF
TRIFLUOROETHANOL[6 atoms] B 100.0
/96.1 5
/5 R1AB_SARS2 3C-like proteinase

2a5a[22] D EDO
1,2-ETHANEDIOL[4 atoms] A 100.0
/100.0 5
/5 R1AB_CVHSA 3C-like peptidase

3vb3[1] D EDO
1,2-ETHANEDIOL[4 atoms] A 100.0
/100.0 5
/5 R1A_CVHSA 3C-like proteinase

3vb3[5] E EDO
1,2-ETHANEDIOL[4 atoms] A 100.0
/100.0 4
/4 R1A_CVHSA 3C-like proteinase

3vb3[9] F EDO
1,2-ETHANEDIOL[4 atoms] A 100.0
/100.0 6
/6 R1A_CVHSA 3C-like proteinase

3vb3[3] G EDO
1,2-ETHANEDIOL[4 atoms] A 100.0
/100.0 5
/5 R1A_CVHSA 3C-like proteinase

3vb3[6] H EDO
1,2-ETHANEDIOL[4 atoms] A 100.0
/100.0 6
/6 R1A_CVHSA 3C-like proteinase

3vb3[1] I EDO
1,2-ETHANEDIOL[4 atoms] B 100.0
/100.0 3
/3 R1A_CVHSA 3C-like proteinase

3vb4[3] G EDO
1,2-ETHANEDIOL[4 atoms] A 100.0
/100.0 2
/2 R1A_CVHSA 3C-like proteinase

3vb4[14] J EDO
1,2-ETHANEDIOL[4 atoms] A 100.0
/100.0 2
/2 R1A_CVHSA 3C-like proteinase

3vb4[3] I EDO
1,2-ETHANEDIOL[4 atoms] B 100.0
/100.0 2
/2 R1A_CVHSA 3C-like proteinase

3vb4[1] L EDO
1,2-ETHANEDIOL[4 atoms] B 100.0
/100.0 5
/5 R1A_CVHSA 3C-like proteinase

3vb7[1] G EDO
1,2-ETHANEDIOL[4 atoms] B 100.0
/100.0 5
/5 R1A_CVHSA 3C-like proteinase

7lcp[4] C EDO
1,2-ETHANEDIOL[4 atoms] A 100.0
/100.0 2
/2 R1AB_SARS 3C-like proteinase

7lcq[2] B EDO
1,2-ETHANEDIOL[4 atoms] A 100.0
/100.0 7
/7 R1AB_SARS 3C-like proteinase

7lcq[3] C EDO
1,2-ETHANEDIOL[4 atoms] A 100.0
/100.0 1
/1 R1AB_SARS 3C-like proteinase

7lfv[1] F EDO
1,2-ETHANEDIOL[4 atoms] A 100.0
/100.0 4
/4 R1A_SARS papain-like protease

7lfv[1] H EDO
1,2-ETHANEDIOL[4 atoms] A 100.0
/100.0 4
/4 R1A_SARS papain-like protease

7lfv[1] J EDO
1,2-ETHANEDIOL[4 atoms] A 100.0
/100.0 4
/4 R1A_SARS papain-like protease

7lfv[1] K EDO
1,2-ETHANEDIOL[4 atoms] A 100.0
/100.0 4
/4 R1A_SARS papain-like protease

7lfv[1] L EDO
1,2-ETHANEDIOL[4 atoms] A 100.0
/100.0 3
/3 R1A_SARS papain-like protease

7lfv[2] M EDO
1,2-ETHANEDIOL[4 atoms] A 100.0
/100.0 5
/5 R1A_SARS papain-like protease

7lfv[1] N EDO
1,2-ETHANEDIOL[4 atoms] A 100.0
/100.0 4
/4 R1A_SARS papain-like protease

7lfv[2] O EDO
1,2-ETHANEDIOL[4 atoms] A 100.0
/100.0 4
/4 R1A_SARS papain-like protease

7lfv[2] Q EDO
1,2-ETHANEDIOL[4 atoms] A 100.0
/100.0 5
/5 R1A_SARS papain-like protease

7lfv[1] BA EDO
1,2-ETHANEDIOL[4 atoms] B 100.0
/100.0 4
/4 R1A_SARS papain-like protease

7lfv[1] T EDO
1,2-ETHANEDIOL[4 atoms] B 100.0
/100.0 2
/2 R1A_SARS papain-like protease

7lfv[1] V EDO
1,2-ETHANEDIOL[4 atoms] B 100.0
/100.0 2
/2 R1A_SARS papain-like protease

7lfv[1] X EDO
1,2-ETHANEDIOL[4 atoms] B 100.0
/100.0 3
/3 R1A_SARS papain-like protease

8okk[2] F EDO
1,2-ETHANEDIOL[4 atoms] B 100.0
/96.1 1
/1 R1AB_SARS2 3C-like proteinase nsp5

8okk[1] V EDO
1,2-ETHANEDIOL[4 atoms] B 100.0
/96.1 2
/2 R1AB_SARS2 3C-like proteinase nsp5

8okn[3] J EDO
1,2-ETHANEDIOL[4 atoms] B 100.0
/96.1 2
/2 R1AB_SARS2 3C-like proteinase nsp5

8w1t[1] E EDO
1,2-ETHANEDIOL[4 atoms] A 100.0
/96.1 1
/1 R1A_SARS2 3C-like proteinase nsp5

2a5i[14] D GOL
GLYCEROL[6 atoms] A 100.0
/100.0 5
/5 R1AB_CVHSA 3C-like peptidase

2z3e[2] D GOL
GLYCEROL[6 atoms] A 100.0
/100.0 4
/4 R1AB_CVHSA Replicase polyprotein 1ab (pp1ab)

3vb4[1] K GOL
GLYCEROL[6 atoms] B 100.0
/100.0 4
/4 R1A_CVHSA 3C-like proteinase

3vb7[8] H GOL
GLYCEROL[6 atoms] B 100.0
/100.0 6
/6 R1A_CVHSA 3C-like proteinase

4m0w[1] G GOL
GLYCEROL[6 atoms] A 100.0
/99.7 5
/5 R1A_CVHSA Replicase polyprotein 1a

4m0w[3] H GOL
GLYCEROL[6 atoms] A 100.0
/99.7 6
/6 R1A_CVHSA Replicase polyprotein 1a

4ow0[1] F GOL
GLYCEROL[6 atoms] A 100.0
/100.0 3
/3 R1A_CVHSA papain-like protease

5y3e[2] I GOL
GLYCEROL[6 atoms] A 100.0
/100.0 6
/6 R1A_CVHSA Replicase polyprotein 1a

5y3e[1] J GOL
GLYCEROL[6 atoms] A 100.0
/100.0 5
/5 R1A_CVHSA Replicase polyprotein 1a

6xbi[1] E GOL
GLYCEROL[6 atoms] A 100.0
/96.1 4
/4 R1AB_SARS2 3C-like proteinase

6xbi[1] F GOL
GLYCEROL[6 atoms] A 100.0
/96.1 3
/3 R1AB_SARS2 3C-like proteinase

7cuu[1] H GOL
GLYCEROL[6 atoms] A 100.0
/96.1 1
/1 R1AB_SARS2 3C protein

7cuu[2] F GOL
GLYCEROL[6 atoms] B 100.0
/96.1 2
/2 R1AB_SARS2 3C protein

7cuu[1] H GOL
GLYCEROL[6 atoms] B 100.0
/96.1 4
/4 R1AB_SARS2 3C protein

7lmg[8] B GOL
GLYCEROL[6 atoms] A 100.0
/100.0 8
/8 R1A_SARS 3C-like proteinase

7lmg[4] D GOL
GLYCEROL[6 atoms] A 100.0
/100.0 1
/1 R1A_SARS 3C-like proteinase

8jcn[2] C GOL
GLYCEROL[6 atoms] A 100.0
/96.1 9
/9 R1A_SARS2 3C-like proteinase nsp5

8r11[1] D GOL
GLYCEROL[6 atoms] A 100.0
/96.1 3
/3 R1A_SARS2 3C-like proteinase

9gil[1] J GOL
GLYCEROL[6 atoms] A 100.0
/96.1 2
/2 R1A_SARS2 3C-like proteinase nsp5

9gil[1] H GOL
GLYCEROL[6 atoms] B 100.0
/96.1 5
/5 R1A_SARS2 3C-like proteinase nsp5

9gil[1] J GOL
GLYCEROL[6 atoms] B 100.0
/96.1 4
/4 R1A_SARS2 3C-like proteinase nsp5

9gil[1] O GOL
GLYCEROL[6 atoms] B 100.0
/96.1 5
/5 R1A_SARS2 3C-like proteinase nsp5

9gil[1] P GOL
GLYCEROL[6 atoms] B 100.0
/96.1 4
/4 R1A_SARS2 3C-like proteinase nsp5

2fe8[7] H SO4
SULFATE ION[5 atoms] A 100.0
/100.0 4
/4 R1AB_CVHSA Replicase polyprotein 1ab

2v6n[2] D SO4
SULFATE ION[5 atoms] A 100.0
/100.0 2
/2 R1AB_CVHSA REPLICASE POLYPROTEIN 1AB

5tl6[1] F SO4
SULFATE ION[5 atoms] A 100.0
/100.0 3
/3 R1AB_CVHSA Replicase polyprotein 1ab

7lfv[1] R SO4
SULFATE ION[5 atoms] A 100.0
/100.0 2
/2 R1A_SARS papain-like protease

7lfv[1] S SO4
SULFATE ION[5 atoms] A 100.0
/100.0 4
/4 R1A_SARS papain-like protease

7q5f[6] D SO4
SULFATE ION[5 atoms] A 100.0
/96.1 2
/2 R1AB_SARS2 3C-like proteinase

8w1t[1] G SO4
SULFATE ION[5 atoms] A 66.7
/96.1 3
/3 R1A_SARS2 3C-like proteinase nsp5

9gil[1] K SO4
SULFATE ION[5 atoms] B 100.0
/96.1 3
/3 R1A_SARS2 3C-like proteinase nsp5

9gil[1] L SO4
SULFATE ION[5 atoms] B 100.0
/96.1 2
/2 R1A_SARS2 3C-like proteinase nsp5

9gil[1] M SO4
SULFATE ION[5 atoms] B 100.0
/96.1 3
/3 R1A_SARS2 3C-like proteinase nsp5

9gil[1] N SO4
SULFATE ION[5 atoms] B 66.7
/96.1 3
/3 R1A_SARS2 3C-like proteinase nsp5

9gil[1] R SO4
SULFATE ION[5 atoms] B 0.0
/96.1 1
/1 R1A_SARS2 3C-like proteinase nsp5

2vj1[149] C DMS
DIMETHYL SULFOXIDE[4 atoms] A 100.0
/100.0 1
/1 A7J8L3_CVHSA SARS CORONAVIRUS MAIN PROTEINASE

2vj1[1] F DMS
DIMETHYL SULFOXIDE[4 atoms] B 100.0
/100.0 3
/3 A7J8L3_CVHSA SARS CORONAVIRUS MAIN PROTEINASE

2z9j[367] D DMS
DIMETHYL SULFOXIDE[4 atoms] A 100.0
/100.0 9
/9 R1AB_CVHSA 3C-like proteinase

3tiu[12] B DMS
DIMETHYL SULFOXIDE[4 atoms] A 100.0
/100.0 6
/6 R1A_CVHSA SARS coronavirus main protease

4ovz[2] E DMS
DIMETHYL SULFOXIDE[4 atoms] A 100.0
/100.0 4
/4 R1A_CVHSA Papain-like proteinase

4ow0[1] G DMS
DIMETHYL SULFOXIDE[4 atoms] A 100.0
/100.0 5
/5 R1A_CVHSA papain-like protease

6ynq[34] C DMS
DIMETHYL SULFOXIDE[4 atoms] A 100.0
/96.1 2
/2 R1AB_SARS2 3C-like proteinase

6yvf[8] G DMS
DIMETHYL SULFOXIDE[4 atoms] A 100.0
/96.1 1
/1 R1AB_SARS2 3C-like proteinase

7abu[2] I DMS
DIMETHYL SULFOXIDE[4 atoms] A 100.0
/96.1 2
/2 R1AB_SARS2 3C-like proteinase

7aww[18] I DMS
DIMETHYL SULFOXIDE[4 atoms] A 66.7
/96.1 3
/3 R1AB_SARS2 3C-like proteinase

7buy[12] E DMS
DIMETHYL SULFOXIDE[4 atoms] A 100.0
/96.1 2
/2 R1AB_SARS2 3C-like proteinase

7cuu[1] C DMS
DIMETHYL SULFOXIDE[4 atoms] A 100.0
/96.1 4
/4 R1AB_SARS2 3C protein

7ghm[12] R DMS
DIMETHYL SULFOXIDE[4 atoms] B 50.0
/96.1 4
/4 R1AB_SARS2 3C-like proteinase

7ghq[4] F DMS
DIMETHYL SULFOXIDE[4 atoms] A 100.0
/96.1 4
/4 R1AB_SARS2 3C-like proteinase

7ghz[3] M DMS
DIMETHYL SULFOXIDE[4 atoms] A 100.0
/96.1 3
/3 R1AB_SARS2 3C-like proteinase

7gnl[2] M DMS
DIMETHYL SULFOXIDE[4 atoms] B 100.0
/96.1 5
/5 R1AB_SARS2 3C-like proteinase

7gnp[1] L DMS
DIMETHYL SULFOXIDE[4 atoms] A 100.0
/96.1 1
/1 R1AB_SARS2 3C-like proteinase

7grh[6] Q DMS
DIMETHYL SULFOXIDE[4 atoms] B 100.0
/96.1 1
/1 R1AB_SARS2 3C-like proteinase nsp5

7grh[1] S DMS
DIMETHYL SULFOXIDE[4 atoms] B 100.0
/96.1 3
/3 R1AB_SARS2 3C-like proteinase nsp5

7grh[2] V DMS
DIMETHYL SULFOXIDE[4 atoms] B 100.0
/96.1 2
/2 R1AB_SARS2 3C-like proteinase nsp5

7hud[4] D DMS
DIMETHYL SULFOXIDE[4 atoms] A 100.0
/96.1 4
/4 R1AB_SARS2 3C-like proteinase nsp5

7mhl[2] C DMS
DIMETHYL SULFOXIDE[4 atoms] A 100.0
/96.1 1
/1 R1AB_SARS2 3C-like proteinase

7mhl[2] E DMS
DIMETHYL SULFOXIDE[4 atoms] A 75.0
/96.1 4
/4 R1AB_SARS2 3C-like proteinase

7mhm[2] C DMS
DIMETHYL SULFOXIDE[4 atoms] A 100.0
/96.1 1
/1 R1AB_SARS2 3C-like proteinase

7rc1[2] G DMS
DIMETHYL SULFOXIDE[4 atoms] A 100.0
/100.0 1
/1 R1A_SARS 3C-like proteinase

7skr[2] C DMS
DIMETHYL SULFOXIDE[4 atoms] A 100.0
/97.8 2
/2 Q0QDZ2_SARS 3C-like proteinase

3vb3[2] C PEG
DI(HYDROXYETHYL)ETHER[7 atoms] A 100.0
/100.0 4
/4 R1A_CVHSA 3C-like proteinase

6yvf[2] I PEG
DI(HYDROXYETHYL)ETHER[7 atoms] A 75.0
/96.1 4
/4 R1AB_SARS2 3C-like proteinase

6yvf[2] J PEG
DI(HYDROXYETHYL)ETHER[7 atoms] A 100.0
/96.1 2
/2 R1AB_SARS2 3C-like proteinase

6yvf[2] K PEG
DI(HYDROXYETHYL)ETHER[6 atoms] A 100.0
/96.1 1
/1 R1AB_SARS2 3C-like proteinase

7lmg[4] E PEG
DI(HYDROXYETHYL)ETHER[7 atoms] A 100.0
/100.0 2
/2 R1A_SARS 3C-like proteinase

7lmg[4] E PEG
DI(HYDROXYETHYL)ETHER[7 atoms] A 100.0
/100.0 1
/1 R1A_SARS 3C-like proteinase

7lmj[2] G PEG
DI(HYDROXYETHYL)ETHER[7 atoms] A 100.0
/100.0 3
/3 R1A_SARS 3C-like proteinase

8uh5[2] C PEG
DI(HYDROXYETHYL)ETHER[7 atoms] A 75.0
/96.1 4
/4 R1AB_SARS2 3C-like proteinase nsp5

5e6j[1] G ACT
ACETATE ION[4 atoms] A 100.0
/99.1 6
/6 R1AB_CVHSA Replicase polyprotein 1ab

8okk[2] P ACT
ACETATE ION[4 atoms] B 100.0
/96.1 4
/4 R1AB_SARS2 3C-like proteinase nsp5

8okk[1] Q ACT
ACETATE ION[4 atoms] B 100.0
/96.1 2
/2 R1AB_SARS2 3C-like proteinase nsp5

8okk[2] T ACT
ACETATE ION[4 atoms] B 100.0
/96.1 7
/7 R1AB_SARS2 3C-like proteinase nsp5

7abu[2] C IMD
IMIDAZOLE[5 atoms] A 100.0
/96.1 3
/3 R1AB_SARS2 3C-like proteinase

7ntt[1] D FMT
FORMIC ACID[3 atoms] B 100.0
/96.1 5
/5 R1A_SARS2 3C-like proteinase

8okk[1] I FMT
FORMIC ACID[3 atoms] B 100.0
/96.1 1
/1 R1AB_SARS2 3C-like proteinase nsp5

8okk[1] U FMT
FORMIC ACID[3 atoms] B 100.0
/96.1 2
/2 R1AB_SARS2 3C-like proteinase nsp5

8okl[1] F FMT
FORMIC ACID[3 atoms] B 100.0
/96.1 3
/3 R1AB_SARS2 3C-like proteinase nsp5

8okk[3] S MPD
(4S)-2-METHYL-2,4-PENTANEDIOL[8 atoms] B 100.0
/96.1 4
/4 R1AB_SARS2 3C-like proteinase nsp5

8r14[1] D PGE
TRIETHYLENE GLYCOL[10 atoms] A 100.0
/96.1 3
/3 R1A_SARS2 3C-like proteinase

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
4382
	pdb_id	a¹	identity[%]²	description
	8yax	A	81.1	R1AB_SARS2 Papain-like protease nsp3
	7fac	A	100.0	R1A_SARS Non-structural protein 2
	7msw	A	68.3	R1AB_SARS2 Non-structural protein 2
	8yb7	C	82.6	R1AB_SARS2 Non-structural protein 4
	5b6o	A	99.7	R1AB_CVHSA 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 [P0C6U8(R1A_SARS)]