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2VJ1

A Structural View of the Inactivation of the SARS-Coronavirus Main Proteinase by Benzotriazole Esters

Replaces:  2CGG
Functional Information from GO Data
ChainGOidnamespacecontents
A0008233molecular_functionpeptidase activity
A0019082biological_processviral protein processing
B0008233molecular_functionpeptidase activity
B0019082biological_processviral protein processing
Functional Information from PDB Data
site_idAC1
Number of Residues6
DetailsBINDING SITE FOR RESIDUE DMS B1302
ChainResidue
ALYS5
AVAL125
AGLN127
BLYS5
BALA7
BGLN127

site_idAC2
Number of Residues5
DetailsBINDING SITE FOR RESIDUE DMS B1303
ChainResidue
BGLN244
BASP245
APRO132
ATHR196
ATHR198

site_idAC3
Number of Residues1
DetailsBINDING SITE FOR RESIDUE DMS A1302
ChainResidue
AGLN256

site_idAC4
Number of Residues5
DetailsBINDING SITE FOR RESIDUE XP1 B1304
ChainResidue
BASN142
BGLY143
BCYS145
BHIS163
BGLU166

site_idAC5
Number of Residues7
DetailsBINDING SITE FOR RESIDUE BEZ A1303
ChainResidue
AHIS41
AMET49
AHIS164
AMET165
AASP187
AARG188
AGLN189

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues4
DetailsACT_SITE: For 3CL-PRO activity => ECO:0000255|PROSITE-ProRule:PRU00772
ChainResidueDetails
AHIS41
ACYS145
BHIS41
BCYS145

Catalytic Information from CSA
site_idCSA1
Number of Residues2
DetailsAnnotated By Reference To The Literature 2bx4
ChainResidueDetails
ACYS145
AHIS41

site_idCSA2
Number of Residues2
DetailsAnnotated By Reference To The Literature 2bx4
ChainResidueDetails
BCYS145
BHIS41

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

site_idMCSA2
Number of Residues3
DetailsM-CSA 830
ChainResidueDetails
BHIS41proton acceptor, proton donor
BGLY143electrostatic stabiliser
BCYS145electrostatic stabiliser

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PDB entries from 2024-08-21

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