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2OP9

Substrate Specificity Profiling and Identification of a New Class of Inhibitor for the Major Protease of the SARS Coronavirus

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 Residues11
DetailsBINDING SITE FOR RESIDUE WR1 A 601
ChainResidue
AHIS41
AARG188
AHOH602
AMET49
ALEU141
AASN142
AGLY143
ASER144
ACYS145
AMET165
AGLU166

site_idAC2
Number of Residues12
DetailsBINDING SITE FOR RESIDUE WR1 B 602
ChainResidue
AALA0
BHIS41
BMET49
BLEU141
BGLY143
BSER144
BCYS145
BMET165
BGLU166
BASP187
BARG188
BHOH603

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_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

219869

PDB entries from 2024-05-15

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