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7ANS

Structure of SARS-CoV-2 Main Protease bound to Adrafinil.

Functional Information from GO Data
ChainGOidnamespacecontents
A0008233molecular_functionpeptidase activity
A0019082biological_processviral protein processing
Functional Information from PDB Data
site_idAC1
Number of Residues8
Detailsbinding site for residue DMS A 401
ChainResidue
AGLN74
ALEU75
AARG76
APHE223
ATHR224
AASP263
AHOH561
AHOH570

site_idAC2
Number of Residues6
Detailsbinding site for residue DMS A 402
ChainResidue
ALEU141
AASN142
AHIS163
AGLU166
ARNW405
APHE140

site_idAC3
Number of Residues1
Detailsbinding site for residue DMS A 403
ChainResidue
ATYR101

site_idAC4
Number of Residues6
Detailsbinding site for residue DMS A 404
ChainResidue
AMET6
APHE8
ASER123
AGLN127
AARG298
AHOH628

site_idAC5
Number of Residues12
Detailsbinding site for residue RNW A 405
ChainResidue
AHIS41
ACYS44
AMET49
AASN142
AGLY143
ASER144
ACYS145
AHIS164
AMET165
AARG188
AGLN189
ADMS402

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

222415

PDB entries from 2024-07-10

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