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2V6N

Crystal structures of the SARS-coronavirus main proteinase inactivated by benzotriazole compounds

Functional Information from GO Data
ChainGOidnamespacecontents
A0008233molecular_functionpeptidase activity
A0019082biological_processviral protein processing
Functional Information from PDB Data
site_idAC1
Number of Residues8
DetailsBINDING SITE FOR RESIDUE XP1 A2307
ChainResidue
APRO39
AHIS41
AMET49
ACYS145
AHIS164
AMET165
AASP187
AARG188

site_idAC2
Number of Residues8
DetailsBINDING SITE FOR RESIDUE MES A2308
ChainResidue
AHIS134
APHE181
ATYR182
AGLY183
AHOH1221
AHOH1359
AHOH1360
AARG105

site_idAC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 A2309
ChainResidue
AASN53
AASP56
AARG222
APHE223
AHOH1361

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues2
DetailsACT_SITE: For 3CL-PRO activity => ECO:0000255|PROSITE-ProRule:PRU00772
ChainResidueDetails
AHIS41
ACYS145

site_idSWS_FT_FI2
Number of Residues1
DetailsSITE: Cleavage; by 3CL-PRO => ECO:0000269|PubMed:14561748
ChainResidueDetails
AGLN306

Catalytic Information from CSA
site_idMCSA1
Number of Residues3
DetailsM-CSA 830
ChainResidueDetails
AHIS41proton acceptor, proton donor
AGLY143electrostatic stabiliser
ACYS145electrostatic stabiliser

219869

PDB entries from 2024-05-15

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