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Literature summary for 3.4.21.98 extracted from

  • Ingallinella, P.; Fattori, D.; Altamura, S.; Steinkuhler, C.; Koch, U.; Cicero, D.; Bazzo, R.; Cortese, R.; Bianchi, E.; Pessi, A.
    Prime site binding inhibitors of a serine protease: NS3/4A of hepatitis C virus (2002), Biochemistry, 41, 5483-5492.
    View publication on PubMed

Activating Compound

Activating Compound Comment Organism Structure
Pep4AK cofactor, peptide spanning the central hydrophobic core of the NS4A protein, with a three-lysine tag at the N-terminus Hepacivirus C

Protein Variants

Protein Variants Comment Organism
K136M IC50 for CO1a is 2-[1-[1-(1-carbamoyl-3-methyl-butylcarbamoyl)-2-carboxy-ethylcarbamoyl]-2-cyclohexyl-ethylcarbamoyl]-cyclohexanecarboxylic acid of that of the wild-type enzyme Hepacivirus C
K136R IC50 for 2-[1-[1-(1-carbamoyl-3-methyl-butylcarbamoyl)-2-carboxy-ethylcarbamoyl]-2-cyclohexyl-ethylcarbamoyl]-cyclohexanecarboxylic acid is 53% of that of the wild-type enzyme Hepacivirus C
K136S IC50 for 2-[1-[1-(1-carbamoyl-3-methyl-butylcarbamoyl)-2-carboxy-ethylcarbamoyl]-2-cyclohexyl-ethylcarbamoyl]-cyclohexanecarboxylic acid is 1.6fold higher than that of the wild-type enzyme Hepacivirus C
R109Q IC50 for 2-[1-[1-(1-carbamoyl-3-methyl-butylcarbamoyl)-2-carboxy-ethylcarbamoyl]-2-cyclohexyl-ethylcarbamoyl]-cyclohexanecarboxylic acid is more than 9fold higher than that of the wild-type enzyme Hepacivirus C

Inhibitors

Inhibitors Comment Organism Structure
2-[1-[1-(1-Carbamoyl-3-methyl-butylcarbamoyl)-2-carboxy-ethylcarbamoyl]-2-cyclohexyl-ethylcarbamoyl]-cyclohexanecarboxylic acid IC50: 0.015 mM, wild-type enzyme, IC50: 0.017 mM, mutant enzyme K136R, IC50: 0.027 mM, mutant enzyme K136M, IC50: 0.05 mM, mutant enzyme K136S, IC50: above 0.3 mM, mutant enzyme R109Q Hepacivirus C
2-[1-[2-Carboxy-1-(1-ethylcarbamoyl-3-methyl-butylcarbamoyl)-ethylcarbamoyl]-2-cyclohexyl-ethylcarbamoyl]-cyclohexanecarboxylic acid IC50: 0.032 mM Hepacivirus C

Organism

Organism UniProt Comment Textmining
Hepacivirus C
-
-
-

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.032
-
IC50: 0.032 mM Hepacivirus C 2-[1-[2-Carboxy-1-(1-ethylcarbamoyl-3-methyl-butylcarbamoyl)-ethylcarbamoyl]-2-cyclohexyl-ethylcarbamoyl]-cyclohexanecarboxylic acid
0.3
-
IC50: 0.015 mM, wild-type enzyme, IC50: 0.017 mM, mutant enzyme K136R, IC50: 0.027 mM, mutant enzyme K136M, IC50: 0.05 mM, mutant enzyme K136S, IC50: above 0.3 mM, mutant enzyme R109Q Hepacivirus C 2-[1-[1-(1-Carbamoyl-3-methyl-butylcarbamoyl)-2-carboxy-ethylcarbamoyl]-2-cyclohexyl-ethylcarbamoyl]-cyclohexanecarboxylic acid