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3ATW

Structure-Based Design, Synthesis, Evaluation of Peptide-mimetic SARS 3CL Protease Inhibitors

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 Residues22
DetailsBINDING SITE FOR CHAIN C OF PEPTIDE ACE-THR-VAL-ALC-HIS-H
ChainResidue
AHIS41
AHIS164
AMET165
AGLU166
APRO168
AASP187
AILE188
AGLN189
ATHR190
AGLN192
AHOH445
AMET49
AHOH474
CHOH101
CHOH102
APHE140
ALEU141
AASN142
AGLY143
ASER144
ACYS145
AHIS163

site_idAC2
Number of Residues18
DetailsBINDING SITE FOR CHAIN D OF PEPTIDE ACE-THR-VAL-ALC-HIS-H
ChainResidue
BMET49
BPHE140
BLEU141
BASN142
BGLY143
BSER144
BCYS145
BHIS163
BHIS164
BMET165
BGLU166
BLEU167
BPRO168
BASP187
BILE188
BGLN189
BTHR190
DHOH101

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues2
DetailsACT_SITE: For 3CL-PRO activity => ECO:0000255|PROSITE-ProRule:PRU00772, ECO:0000269|PubMed:16306590
ChainResidueDetails
AHIS41
BHIS41

site_idSWS_FT_FI2
Number of Residues2
DetailsACT_SITE: For 3CL-PRO activity => ECO:0000255|PROSITE-ProRule:PRU00772
ChainResidueDetails
ACYS145
BCYS145

site_idSWS_FT_FI3
Number of Residues2
DetailsSITE: Cleavage; by 3CL-PRO => ECO:0000269|PubMed:14561748
ChainResidueDetails
AGLN306
BGLN306

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PDB entries from 2024-06-12

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