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6FFS

Structure-based design and synthesis of macrocyclic human rhinovirus 3C protease inhibitors

Functional Information from GO Data
ChainGOidnamespacecontents
A0004197molecular_functioncysteine-type endopeptidase activity
A0006508biological_processproteolysis
Functional Information from PDB Data
site_idAC1
Number of Residues19
Detailsbinding site for residue D8E A 201
ChainResidue
AHIS40
ACYS147
AHIS161
AVAL162
AGLY163
AGLY164
AASN165
AGLY166
APHE170
AHOH310
AHOH393
AGLU71
ALEU126
ALEU127
ASER128
AASN130
ATHR142
ALYS143
ASER144

site_idAC2
Number of Residues5
Detailsbinding site for residue SO4 A 202
ChainResidue
AASN64
ALYS65
AGLU94
AARG134
AHOH305

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues3
DetailsACT_SITE: For protease 3C activity => ECO:0000255|PROSITE-ProRule:PRU01222
ChainResidueDetails
AHIS40
AGLU71
ACYS147

Catalytic Information from CSA
site_idMCSA1
Number of Residues4
DetailsM-CSA 477
ChainResidueDetails
AHIS40electrostatic stabiliser, proton shuttle (general acid/base)
AGLU71electrostatic stabiliser, modifies pKa
AGLY145electrostatic stabiliser
ACYS147electrostatic stabiliser

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PDB entries from 2024-10-02

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