Loading
PDBj
MenuPDBj@FacebookPDBj@X(formerly Twitter)PDBj@BlueSkyPDBj@YouTubewwPDB FoundationwwPDBDonate
RCSB PDBPDBeBMRBAdv. SearchSearch help

7B2U

Crystal Structure of SARS-CoV-2 main protease (Nsp5) in complex with compound 1

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 Residues15
Detailsbinding site for residue SQ5 A 401
ChainResidue
AHIS41
AGLU166
AASP187
AARG188
AGLN189
AHOH567
BSER1
APHE140
ALEU141
AASN142
AGLY143
ACYS145
AHIS163
AHIS164
AMET165

site_idAC2
Number of Residues7
Detailsbinding site for residue DMS A 402
ChainResidue
AMET6
AALA7
APHE8
AGLN127
AARG298
AHOH523
BSER123

site_idAC3
Number of Residues3
Detailsbinding site for residue DMS A 403
ChainResidue
AHIS64
AASN65
APHE223

site_idAC4
Number of Residues7
Detailsbinding site for residue DMS A 404
ChainResidue
AGLN74
ALEU75
AARG76
ATHR224
AASP263
AHOH518
AHOH576

site_idAC5
Number of Residues2
Detailsbinding site for residue DMS A 405
ChainResidue
APHE103
AHOH715

site_idAC6
Number of Residues1
Detailsbinding site for residue DMS A 406
ChainResidue
AASN84

site_idAC7
Number of Residues17
Detailsbinding site for residue SQ5 B 401
ChainResidue
ASER1
BHIS41
BMET49
BPHE140
BLEU141
BASN142
BGLY143
BCYS145
BHIS163
BHIS164
BMET165
BGLU166
BASP187
BARG188
BGLN189
BHOH501
BHOH592

site_idAC8
Number of Residues6
Detailsbinding site for residue DMS B 402
ChainResidue
ASER123
BMET6
BPHE8
BGLN127
BARG298
BHOH664

site_idAC9
Number of Residues8
Detailsbinding site for residue DMS B 403
ChainResidue
BGLN74
BLEU75
BARG76
BPHE223
BTHR224
BASP263
BHOH509
BHOH588

site_idAD1
Number of Residues3
Detailsbinding site for residue DMS B 404
ChainResidue
BHIS64
BASN65
BPHE223

site_idAD2
Number of Residues1
Detailsbinding site for residue DMS B 405
ChainResidue
BTYR101

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

site_idSWS_FT_FI3
Number of Residues2
DetailsSITE: Cleavage; by 3CL-PRO => ECO:0000250|UniProtKB:P0C6V3
ChainResidueDetails
AGLN306
BGLN306

site_idSWS_FT_FI4
Number of Residues6
DetailsCROSSLNK: Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in ubiquitin) => ECO:0000269|PubMed:39223933
ChainResidueDetails
ALYS5
ALYS90
BLYS5
BLYS90

237423

PDB entries from 2025-06-11

PDB statisticsPDBj update infoContact PDBjnumon