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5RGN

PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102759 (Mpro-x0731)

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
AARG76
AARG222
APHE223
ATHR224
AASP263
AHOH539
AHOH589

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

site_idAC3
Number of Residues4
Detailsbinding site for residue DMS A 403
ChainResidue
AGLY15
AMET17
ALYS97
AHOH665

site_idAC4
Number of Residues10
Detailsbinding site for residue U1A A 404
ChainResidue
ATHR25
ATHR26
AHIS41
AASN142
AGLY143
ASER144
ACYS145
AVAL297
ASER301
AHOH801

site_idAC5
Number of Residues7
Detailsbinding site for residue DMS A 405
ChainResidue
APHE140
ALEU141
AASN142
ASER144
AHIS163
AGLU166
AHIS172

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

218853

PDB entries from 2024-04-24

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