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7B77

Crystal Structure of SARS-CoV-2 main protease (Nsp5) in complex with compound 8

Functional Information from GO Data
ChainGOidnamespacecontents
A0008233molecular_functionpeptidase activity
A0019082biological_processviral protein processing
Functional Information from PDB Data
site_idAC1
Number of Residues6
Detailsbinding site for residue DMS A 401
ChainResidue
AMET6
AALA7
APHE8
ASER123
AGLN127
AARG298

site_idAC2
Number of Residues4
Detailsbinding site for residue DMS A 402
ChainResidue
AHOH625
AGLY15
AGLY71
ALYS97

site_idAC3
Number of Residues3
Detailsbinding site for residue DMS A 403
ChainResidue
AHIS64
AASN65
APHE223

site_idAC4
Number of Residues7
Detailsbinding site for residue DMS A 404
ChainResidue
AGLN74
ALEU75
AARG76
ATHR224
AASP263
AHOH530
AHOH600

site_idAC5
Number of Residues12
Detailsbinding site for residue T0W A 405
ChainResidue
AMET49
ATYR54
APHE140
ALEU141
AASN142
ACYS145
AHIS163
AMET165
AGLU166
AASP187
AARG188
AHOH561

site_idAC6
Number of Residues1
Detailsbinding site for residue DMS A 406
ChainResidue
AHOH620

site_idAC7
Number of Residues4
Detailsbinding site for residue DMS A 407
ChainResidue
AGLY215
AASP216
AARG217
ATRP218

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues1
DetailsACT_SITE: For 3CL-PRO activity => ECO:0000255|PROSITE-ProRule:PRU00772, ECO:0000305|PubMed:32198291
ChainResidueDetails
AHIS41

site_idSWS_FT_FI2
Number of Residues1
DetailsACT_SITE: Nucleophile; for 3CL-PRO activity => ECO:0000255|PROSITE-ProRule:PRU00772, ECO:0000269|PubMed:32198291
ChainResidueDetails
ACYS145

site_idSWS_FT_FI3
Number of Residues1
DetailsSITE: Cleavage; by 3CL-PRO => ECO:0000250|UniProtKB:P0C6V3
ChainResidueDetails
AGLN306

221051

PDB entries from 2024-06-12

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