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5RGI

PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z369936976 (Mpro-x0397)

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
AHOH523
AHOH602

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
AHOH656

site_idAC4
Number of Residues12
Detailsbinding site for residue U0P A 404
ChainResidue
ATHR26
APHE140
ALEU141
AASN142
AGLY143
ASER144
ACYS145
AHIS163
AHIS164
AGLU166
AHOH529
AHOH683

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues1
DetailsActive site: {"description":"For 3CL-PRO activity","evidences":[{"source":"PROSITE-ProRule","id":"PRU00772","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"32198291","evidenceCode":"ECO:0000305"}]}
ChainResidueDetails

site_idSWS_FT_FI2
Number of Residues1
DetailsActive site: {"description":"Nucleophile; for 3CL-PRO activity","evidences":[{"source":"PROSITE-ProRule","id":"PRU00772","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"32198291","evidenceCode":"ECO:0000269"}]}
ChainResidueDetails

site_idSWS_FT_FI3
Number of Residues3
DetailsCross-link: {"description":"Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in ubiquitin)","evidences":[{"source":"PubMed","id":"39223933","evidenceCode":"ECO:0000269"}]}
ChainResidueDetails

239492

PDB entries from 2025-07-30

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