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6XMK

1.70 A resolution structure of SARS-CoV-2 3CL protease in complex with inhibitor 7j

Functional Information from GO Data
ChainGOidnamespacecontents
A0008233molecular_functionpeptidase activity
A0019082biological_processviral protein processing
B0008233molecular_functionpeptidase activity
B0019082biological_processviral protein processing
Functional Information from PDB Data
site_idAC1
Number of Residues13
Detailsbinding site for residue QYS A 401
ChainResidue
APHE140
AHIS172
AGLN189
AALA191
AHOH572
AASN142
AGLY143
ASER144
ACYS145
AHIS163
AHIS164
AMET165
AGLU166

site_idAC2
Number of Residues10
Detailsbinding site for residue PG4 B 402
ChainResidue
BGLU14
BGLY15
BMET17
BTRP31
BALA70
BVAL73
BLEU75
BASN95
BHOH569
BHOH577

site_idAC3
Number of Residues19
Detailsbinding site for Di-peptide QYS B 401 and CYS B 145
ChainResidue
BLEU27
BASN28
BHIS41
BPHE140
BASN142
BGLY143
BSER144
BGLY146
BSER147
BHIS163
BHIS164
BMET165
BGLU166
BPRO168
BHIS172
BARG188
BGLN189
BTHR190
BALA191

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues2
DetailsACT_SITE: For 3CL-PRO activity => ECO:0000255|PROSITE-ProRule:PRU00772, ECO:0000305|PubMed:32198291
ChainResidueDetails
AHIS41
BHIS41

site_idSWS_FT_FI2
Number of Residues2
DetailsACT_SITE: Nucleophile; for 3CL-PRO activity => ECO:0000255|PROSITE-ProRule:PRU00772, ECO:0000269|PubMed:32198291
ChainResidueDetails
ACYS145
BCYS145

226707

PDB entries from 2024-10-30

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