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Literature summary extracted from

  • Chollet, A.; Maveyraud, L.; Lherbet, C.; Bernardes-Genisson, V.
    An overview on crystal structures of InhA protein Apo-form, in complex with its natural ligands and inhibitors (2018), Eur. J. Med. Chem., 146, 318-343 .
    View publication on PubMed

Application

EC Number Application Comment Organism
1.3.1.118 pharmacology the enzyme is a target for the development of new anti-tubercular drugs Mycobacterium tuberculosis

Crystallization (Commentary)

EC Number Crystallization (Comment) Organism
1.3.1.118 overview of 80 available crystal structures of wild-type and mutant InhA, in its apo form, in complex with its cofactor, with an analogue of its natural ligands (C16 fatty acid and/or NADH) or with inhibitor Mycobacterium tuberculosis

Protein Variants

EC Number Protein Variants Comment Organism
1.3.1.118 K165A mutation prevents NADH from binding Mycobacterium tuberculosis
1.3.1.118 K165M mutation prevents NADH from binding Mycobacterium tuberculosis
1.3.1.118 K165Q mutation has no effect on NADH binding Mycobacterium tuberculosis
1.3.1.118 K165R mutation has no effect on NADH binding Mycobacterium tuberculosis
1.3.1.118 Y158A mutation improves the KM for the cofactor by a factor of 13 Mycobacterium tuberculosis
1.3.1.118 Y158F mutation improves the KM for the cofactor by a factor of 33 Mycobacterium tuberculosis
1.3.1.118 Y158S mutation has no effect on NADH binding Mycobacterium tuberculosis

Inhibitors

EC Number Inhibitors Comment Organism Structure
1.3.1.118 Ethionamide the indirect inhibitor forms a covalent adduct with the cofactor Mycobacterium tuberculosis
1.3.1.118 Genz10850
-
 Mycobacterium tuberculosis
1.3.1.118 GENZ8575
-
 Mycobacterium tuberculosis
1.3.1.118 isoniazid the indirect inhibitor forms a covalent adduct with the cofactor, leading compound for antitubercular drug therapy Mycobacterium tuberculosis
1.3.1.118 additional information overview of 80 available crystal structures of wild-type and mutant InhA, in its apo form, in complex with its cofactor, with an analogue of its natural ligands (C16 fatty acid and/or NADH) or with inhibitors Mycobacterium tuberculosis

Organism

EC Number Organism UniProt Comment Textmining
1.3.1.118 Mycobacterium tuberculosis P9WGR1
-
-
1.3.1.118 Mycobacterium tuberculosis ATCC 25618 P9WGR1
-
-

Synonyms

EC Number Synonyms Comment Organism
1.3.1.118 enoyl-ACP reductase InhA
-
 Mycobacterium tuberculosis

IC50 Value

EC Number IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
1.3.1.118 0.00016
-
 pH and temperature not specified in the publication Mycobacterium tuberculosis Genz10850
1.3.1.118 0.0024
-
 pH and temperature not specified in the publication Mycobacterium tuberculosis GENZ8575

General Information

EC Number General Information Comment Organism
1.3.1.118 metabolism the enzyme is involved in the mycobacterial fatty acid biosynthesis pathway. It is essential for the survival of Mycobacterium tuberculosis Mycobacterium tuberculosis
1.3.1.118 physiological function the enzyme is the causative agent of tuberculosis Mycobacterium tuberculosis