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6XKH

THE 1.28A CRYSTAL STRUCTURE OF 3CL MAINPRO OF SARS-COV-2 WITH OXIDIZED C145 (sulfinic acid cysteine)

Replaces:  6XG2
Functional Information from GO Data
ChainGOidnamespacecontents
A0008233molecular_functionpeptidase activity
A0019082biological_processviral protein processing
Functional Information from PDB Data
site_idAC1
Number of Residues4
Detailsbinding site for residue EDO A 401
ChainResidue
ATHR25
AHIS41
ACYS44
AMET49

site_idAC2
Number of Residues4
Detailsbinding site for residue EDO A 402
ChainResidue
ATHR226
AASN228
AASP229
AHOH502

site_idAC3
Number of Residues5
Detailsbinding site for residue FMT A 403
ChainResidue
APRO184
APHE185
AGLY195
AHOH660
AASN133

site_idAC4
Number of Residues5
Detailsbinding site for residue FMT A 404
ChainResidue
AASN72
ATHR226
ALEU227
AHOH502
AHOH549

site_idAC5
Number of Residues6
Detailsbinding site for residue FMT A 405
ChainResidue
ALEU141
ASER144
ACSD145
AHIS163
AGLU166
AHOH626

site_idAC6
Number of Residues2
Detailsbinding site for residue FMT A 406
ChainResidue
AARG40
AHOH565

site_idAC7
Number of Residues4
Detailsbinding site for residue ACT A 407
ChainResidue
AGLY15
AMET17
AALA70
AHOH581

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
ACSD145

site_idSWS_FT_FI3
Number of Residues1
DetailsSITE: Cleavage; by 3CL-PRO => ECO:0000250|UniProtKB:P0C6V3
ChainResidueDetails
AGLN306

site_idSWS_FT_FI4
Number of Residues3
DetailsCROSSLNK: Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in ubiquitin) => ECO:0000269|PubMed:39223933
ChainResidueDetails
ALYS5
ALYS90

237735

PDB entries from 2025-06-18

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