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2H6M

An episulfide cation (thiiranium ring) trapped in the active site of HAV 3C proteinase inactivated by peptide-based ketone inhibitors

Functional Information from GO Data
ChainGOidnamespacecontents
A0004197molecular_functioncysteine-type endopeptidase activity
A0006508biological_processproteolysis
Functional Information from PDB Data
site_idAC1
Number of Residues12
DetailsBINDING SITE FOR RESIDUE BBL A 901
ChainResidue
AALA6
AHOH995
AHOH1040
AHOH1077
ALEU8
AARG10
AARG97
AGLN101
AHIS102
APRO127
AMET128
ALEU129

site_idAC2
Number of Residues23
DetailsBINDING SITE FOR CHAIN I OF N-ACETYL-LEUCYL-ALANYL-ALANYL-(N,N-DIMETHYL)-GLUTAMINE-(1,4-DIOXO-3,4-DIHYDRO-1H-PHTHALAZIN-2-YL)METHYLKETONE INHIBITOR
ChainResidue
AMET29
AHIS44
AGLU139
ATHR142
ATYR143
AVAL144
AHIS145
AGLY167
ALEU168
AGLY170
AMET171
ACYS172
AHIS191
AVAL192
AALA193
AGLY194
AGLY195
AASN196
AILE198
AVAL200
AHOH1089
AHOH1146
IHOH124

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues3
DetailsACT_SITE: For protease 3C activity => ECO:0000255|PROSITE-ProRule:PRU01222
ChainResidueDetails
AHIS44
AASP84
ACYS172

221051

PDB entries from 2024-06-12

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