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5REJ

PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102241

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
AGLN74
ALEU75
AARG76
APHE223
AASP263
AHOH527
AHOH575

site_idAC2
Number of Residues5
Detailsbinding site for residue DMS A 402
ChainResidue
ASER123
AGLN127
AARG298
AMET6
APHE8

site_idAC3
Number of Residues4
Detailsbinding site for residue DMS A 403
ChainResidue
AGLY15
AMET17
ALYS97
AHOH628

site_idAC4
Number of Residues12
Detailsbinding site for residue T1V A 404
ChainResidue
ATHR26
AHIS41
AASN142
AGLY143
ASER144
ACYS145
ADMS405
AHOH564
AHOH706
AHOH741
AHOH746
AHOH778

site_idAC5
Number of Residues6
Detailsbinding site for residue DMS A 405
ChainResidue
APHE140
ALEU141
AHIS163
AMET165
AGLU166
AT1V404

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

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PDB entries from 2024-07-24

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