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5C5O

Structure of SARS-3CL protease complex with a phenyl-beta-alanyl (S,R)-N-decalin type inhibitor

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 Residues16
Detailsbinding site for residue SDJ A 401
ChainResidue
ATHR25
AHIS163
AHIS164
AGLU166
AASP187
AILE188
AHOH513
AHOH567
AALA46
AMET49
APHE140
ALEU141
AASN142
AGLY143
ASER144
ACYS145

site_idAC2
Number of Residues21
Detailsbinding site for Di-peptide SDJ B 401 and CYS B 145
ChainResidue
BTHR25
BLEU27
BASN28
BHIS41
BCYS44
BTHR45
BALA46
BMET49
BPHE140
BLEU141
BASN142
BGLY143
BSER144
BGLY146
BSER147
BHIS163
BHIS164
BGLU166
BHOH519
BHOH624
BHOH629

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues4
DetailsACT_SITE: For 3CL-PRO activity => ECO:0000255|PROSITE-ProRule:PRU00772
ChainResidueDetails
AHIS41
ACYS145
BHIS41
BCYS145

site_idSWS_FT_FI2
Number of Residues2
DetailsSITE: Cleavage; by 3CL-PRO => ECO:0000269|PubMed:14561748
ChainResidueDetails
AGLN306
BGLN306

Catalytic Information from CSA
site_idMCSA1
Number of Residues3
DetailsM-CSA 830
ChainResidueDetails
AHIS41proton acceptor, proton donor
AGLY143electrostatic stabiliser
ACYS145electrostatic stabiliser

site_idMCSA2
Number of Residues3
DetailsM-CSA 830
ChainResidueDetails
BHIS41proton acceptor, proton donor
BGLY143electrostatic stabiliser
BCYS145electrostatic stabiliser

220113

PDB entries from 2024-05-22

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