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6WTT

Crystals Structure of the SARS-CoV-2 (COVID-19) main protease with inhibitor GC-376

Functional Information from GO Data
ChainGOidnamespacecontents
A0008233molecular_functionpeptidase activity
A0019082biological_processviral protein processing
B0008233molecular_functionpeptidase activity
B0019082biological_processviral protein processing
C0008233molecular_functionpeptidase activity
C0019082biological_processviral protein processing
Functional Information from PDB Data
site_idAC1
Number of Residues15
Detailsbinding site for residue K36 A 401
ChainResidue
AHIS41
AGLU166
AGLN189
ATHR190
AGLN192
AHOH513
AHOH599
APHE140
AASN142
AGLY143
ASER144
ACYS145
AHIS163
AHIS164
AMET165

site_idAC2
Number of Residues5
Detailsbinding site for residue PEG A 402
ChainResidue
ALEU227
ATHR243
AGLN244
AASP245
AHOH519

site_idAC3
Number of Residues6
Detailsbinding site for residue GOL A 403
ChainResidue
APHE223
AGLU270
AGLN273
AHOH509
AHOH609
CPRO168

site_idAC4
Number of Residues2
Detailsbinding site for residue CL A 405
ChainResidue
ATYR126
AGLN127

site_idAC5
Number of Residues1
Detailsbinding site for residue CL A 406
ChainResidue
APHE103

site_idAC6
Number of Residues3
Detailsbinding site for residue MG A 407
ChainResidue
ALEU58
AMET82
BARG105

site_idAC7
Number of Residues1
Detailsbinding site for residue CL B 402
ChainResidue
BLEU67

site_idAC8
Number of Residues5
Detailsbinding site for residue MG B 403
ChainResidue
BASN221
BPHE223
BASP263
BALA266
BHOH524

site_idAC9
Number of Residues16
Detailsbinding site for Di-peptide K36 B 401 and CYS B 145
ChainResidue
BLEU27
BASN28
BHIS41
BPHE140
BASN142
BGLY143
BSER144
BGLY146
BSER147
BHIS163
BHIS164
BMET165
BGLU166
BGLN189
BTHR190
BGLN192

site_idAD1
Number of Residues20
Detailsbinding site for Di-peptide UCS C 401 and CYS C 145
ChainResidue
ATHR224
CLEU27
CASN28
CHIS41
CMET49
CPHE140
CASN142
CGLY143
CSER144
CGLY146
CSER147
CHIS163
CHIS164
CMET165
CGLU166
CHIS172
CARG188
CGLN189
CTHR190
CGLN192

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues3
DetailsACT_SITE: For 3CL-PRO activity => ECO:0000255|PROSITE-ProRule:PRU00772, ECO:0000305|PubMed:32198291
ChainResidueDetails
AHIS41
BHIS41
CHIS41

site_idSWS_FT_FI2
Number of Residues3
DetailsACT_SITE: Nucleophile; for 3CL-PRO activity => ECO:0000255|PROSITE-ProRule:PRU00772, ECO:0000269|PubMed:32198291
ChainResidueDetails
ACYS145
BCYS145
CCYS145

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PDB entries from 2024-07-10

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