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7EN8

Crystal structure of SARS-CoV-2 3CLpro in complex with the non-covalent inhibitor WU-04

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 Residues16
Detailsbinding site for residue J7R A 401
ChainResidue
AHIS41
AMET165
AGLU166
AASP187
AARG188
AGLN192
AHOH503
AHOH692
AMET49
APHE140
ALEU141
AASN142
ASER144
ACYS145
AHIS163
AHIS164

site_idAC2
Number of Residues17
Detailsbinding site for residue J7R B 401
ChainResidue
BHIS41
BMET49
BPHE140
BLEU141
BASN142
BSER144
BCYS145
BHIS163
BMET165
BGLU166
BASP187
BARG188
BGLN189
BTHR190
BGLN192
BHOH514
BHOH646

site_idAC3
Number of Residues12
Detailsbinding site for residue GOL B 402
ChainResidue
AGLY302
AHOH566
BTYR118
BLEU141
BASN142
BASN228
BHOH531
BHOH538
BHOH552
BHOH586
BHOH615
BHOH645

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues2
DetailsACT_SITE: For 3CL-PRO activity => ECO:0000255|PROSITE-ProRule:PRU00772, ECO:0000305|PubMed:32198291
ChainResidueDetails
AHIS41
BHIS41

site_idSWS_FT_FI2
Number of Residues2
DetailsACT_SITE: Nucleophile; for 3CL-PRO activity => ECO:0000255|PROSITE-ProRule:PRU00772, ECO:0000269|PubMed:32198291
ChainResidueDetails
ACYS145
BCYS145

site_idSWS_FT_FI3
Number of Residues2
DetailsSITE: Cleavage; by 3CL-PRO => ECO:0000250|UniProtKB:P0C6V3
ChainResidueDetails
AGLN306
BGLN306

218853

PDB entries from 2024-04-24

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