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3TNT

Crystal structure of SARS coronavirus main protease complexed with an alpha, beta-unsaturated ethyl ester inhibitor SG85

Functional Information from GO Data
ChainGOidnamespacecontents
A0008233molecular_functionpeptidase activity
A0019082biological_processviral protein processing
Functional Information from PDB Data
site_idAC1
Number of Residues21
DetailsBINDING SITE FOR RESIDUE G85 A 501
ChainResidue
AHIS41
AMET165
AGLU166
APRO168
AHIS172
AASP187
AARG188
AGLN189
ATHR190
AGLN192
AHOH368
ATYR54
AHOH453
AHOH666
APHE140
ALEU141
AASN142
AGLY143
ACYS145
AHIS163
AHIS164

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

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PDB entries from 2024-10-30

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