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4TWW

Structure of SARS-3CL protease complex with a Bromobenzoyl (S,R)-N-decalin type inhibitor

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 Residues13
Detailsbinding site for residue 3A7 A 401
ChainResidue
AMET49
AGLU166
AASP187
AILE188
AGLN189
APHE140
ALEU141
AASN142
AGLY143
ASER144
ACYS145
AHIS163
AHIS164

site_idAC2
Number of Residues12
Detailsbinding site for residue 3A7 B 401
ChainResidue
BMET49
BPHE140
BLEU141
BASN142
BGLY143
BSER144
BCYS145
BHIS163
BHIS164
BGLU166
BASP187
BILE188

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues610
DetailsDomain: {"description":"Peptidase C30","evidences":[{"source":"PROSITE-ProRule","id":"PRU00772","evidenceCode":"ECO:0000255"}]}
ChainResidueDetails

site_idSWS_FT_FI2
Number of Residues4
DetailsActive site: {"description":"For 3CL-PRO activity","evidences":[{"source":"PROSITE-ProRule","id":"PRU00772","evidenceCode":"ECO:0000255"}]}
ChainResidueDetails

Catalytic Information from CSA
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 2026-03-18

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