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7B2J

Crystal Structure of SARS-CoV-2 main protease (Nsp5) in complex with compound 5

Functional Information from GO Data
ChainGOidnamespacecontents
A0008233molecular_functionpeptidase activity
A0019082biological_processviral protein processing
Functional Information from PDB Data
site_idAC1
Number of Residues12
Detailsbinding site for residue SQ2 A 401
ChainResidue
AHIS41
AASP187
AGLN189
AHOH584
APHE140
ALEU141
AASN142
ACYS145
AHIS163
AHIS164
AMET165
AGLU166

site_idAC2
Number of Residues1
Detailsbinding site for residue PEG A 402
ChainResidue
AASN84

site_idAC3
Number of Residues6
Detailsbinding site for residue DMS A 403
ChainResidue
AMET6
AALA7
APHE8
ASER123
AGLN127
AARG298

site_idAC4
Number of Residues4
Detailsbinding site for residue DMS A 404
ChainResidue
AGLY15
AMET17
AALA70
ALYS97

site_idAC5
Number of Residues6
Detailsbinding site for residue DMS A 405
ChainResidue
AGLN69
AGLY71
AASN119
AGLY120
ASER121
AHOH503

site_idAC6
Number of Residues4
Detailsbinding site for residue DMS A 406
ChainResidue
AHIS64
AASN65
APHE223
AHOH504

site_idAC7
Number of Residues7
Detailsbinding site for residue DMS A 407
ChainResidue
AGLN74
ALEU75
AARG76
ATHR224
AASP263
AHOH535
AHOH617

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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