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5FX5

Novel inhibitors of human rhinovirus 3C protease

Functional Information from GO Data
ChainGOidnamespacecontents
A0004197molecular_functioncysteine-type endopeptidase activity
A0006508biological_processproteolysis
Functional Information from PDB Data
site_idAC1
Number of Residues3
DetailsBINDING SITE FOR RESIDUE GOL A 1181
ChainResidue
ATYR63
ASER177
AHOH2084

site_idAC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE GOL A 1182
ChainResidue
ALYS69
AASN130
AHOH2168
AHOH2178

site_idAC3
Number of Residues6
DetailsBINDING SITE FOR RESIDUE PG4 A 1183
ChainResidue
ATHR53
ASER121
ATYR122
AGLY123
AGLU46
AGLN48

site_idAC4
Number of Residues1
DetailsBINDING SITE FOR RESIDUE PGE A 1184
ChainResidue
ATYR31

site_idAC5
Number of Residues21
DetailsBINDING SITE FOR RESIDUE HOV A 1185
ChainResidue
AASN22
ALYS24
APHE25
AHIS40
AGLU71
ALEU126
ALEU127
ASER128
ATHR142
ALYS143
AGLY145
ATYR146
ACYS147
AHIS161
AVAL162
AGLY163
AGLY164
AASN165
APHE170
AHOH2162
AHOH2181

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

224572

PDB entries from 2024-09-04

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