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7AOL

Structure of SARS-CoV-2 Main Protease bound to Climbazole

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
AHOH556
AHOH584

site_idAC2
Number of Residues4
Detailsbinding site for residue IMD A 402
ChainResidue
AGLN273
AASN274
AHOH583
APRO96

site_idAC3
Number of Residues16
Detailsbinding site for residue RQH A 403
ChainResidue
AVAL104
AARG105
AASP176
AGLU178
AASN228
ALEU232
APRO241
AHOH509
AHOH512
AHOH594
AHOH598
AHOH724
AHOH739
AHOH787
AHOH841
AHOH886

site_idAC4
Number of Residues4
Detailsbinding site for residue DMS A 404
ChainResidue
AGLY15
AMET17
ALYS97
AHOH600

site_idAC5
Number of Residues2
Detailsbinding site for residue DMS A 405
ChainResidue
ATYR101
AHOH659

site_idAC6
Number of Residues6
Detailsbinding site for residue DMS A 406
ChainResidue
AMET6
APHE8
ASER123
AGLN127
AARG298
AHOH678

site_idAC7
Number of Residues6
Detailsbinding site for residue DMS A 407
ChainResidue
APHE140
AASN142
AHIS163
AMET165
AGLU166
AHOH501

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

226262

PDB entries from 2024-10-16

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