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6XQT

Room-temperature X-ray Crystal structure of SARS-CoV-2 main protease in complex with Narlaprevir

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 Residues20
Detailsbinding site for residue NNA A 401
ChainResidue
ATHR26
AGLU166
ALEU167
APRO168
AARG188
AGLN189
ATHR190
AALA191
AGLN192
AASP248
AGLY251
AHIS41
APRO252
AMET49
AASN142
AGLY143
ASER144
ACYS145
AHIS164
AMET165

site_idAC2
Number of Residues23
Detailsbinding site for Di-peptide NNA B 401 and CYS B 145
ChainResidue
BTHR26
BLEU27
BASN28
BHIS41
BMET49
BASN142
BGLY143
BSER144
BGLY146
BSER147
BHIS163
BHIS164
BMET165
BGLU166
BLEU167
BPRO168
BARG188
BGLN189
BTHR190
BALA191
BASP248
BGLY251
BPRO252

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

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PDB entries from 2024-10-09

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