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7B5Z

Crystal Structure of SARS-CoV-2 main protease (Nsp5) in complex with compound 6

Functional Information from GO Data
ChainGOidnamespacecontents
A0008233molecular_functionpeptidase activity
A0019082biological_processviral protein processing
Functional Information from PDB Data
site_idAC1
Number of Residues7
Detailsbinding site for residue DMS A 401
ChainResidue
AMET6
AALA7
APHE8
ASER123
AGLN127
AARG298
AHOH640

site_idAC2
Number of Residues3
Detailsbinding site for residue DMS A 402
ChainResidue
APHE223
AHIS64
AASN65

site_idAC3
Number of Residues7
Detailsbinding site for residue DMS A 403
ChainResidue
AGLN74
ALEU75
AARG76
ATHR224
AASP263
AHOH603
AHOH629

site_idAC4
Number of Residues2
Detailsbinding site for residue DMS A 404
ChainResidue
AHOH507
AHOH664

site_idAC5
Number of Residues13
Detailsbinding site for residue SYH A 405
ChainResidue
AHIS41
AMET49
APHE140
ALEU141
AASN142
ACYS145
AHIS163
AHIS164
AMET165
AGLU166
AASP187
AGLN189
AHOH538

site_idAC6
Number of Residues5
Detailsbinding site for residue DMS A 406
ChainResidue
AGLY215
AASP216
AARG217
ATRP218
AARG279

site_idAC7
Number of Residues8
Detailsbinding site for residue DMS A 407
ChainResidue
AGLU178
ALEU227
AASN228
AASN231
AHOH539
AHOH552
AHOH577
AHOH604

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues1
DetailsActive site: {"description":"For 3CL-PRO activity","evidences":[{"source":"PROSITE-ProRule","id":"PRU00772","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"32198291","evidenceCode":"ECO:0000305"}]}
ChainResidueDetails

site_idSWS_FT_FI2
Number of Residues1
DetailsActive site: {"description":"Nucleophile; for 3CL-PRO activity","evidences":[{"source":"PROSITE-ProRule","id":"PRU00772","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"32198291","evidenceCode":"ECO:0000269"}]}
ChainResidueDetails

site_idSWS_FT_FI3
Number of Residues3
DetailsCross-link: {"description":"Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in ubiquitin)","evidences":[{"source":"PubMed","id":"39223933","evidenceCode":"ECO:0000269"}]}
ChainResidueDetails

243531

PDB entries from 2025-10-22

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