Application | Comment | Organism |
---|---|---|
drug development | InhA is an attractive target for the development of drugs against tuberculosis | Mycobacterium tuberculosis |
Cloned (Comment) | Organism |
---|---|
expression of His-tagged InhA in Escherichia coli BL21(DE3) | Mycobacterium tuberculosis |
Crystallization (Comment) | Organism |
---|---|
purified recombinant His-tagged InhA in a ternary complex with NAD+ and PT70, 10 mg/ml protein is combined with NAD and PT70 in a molar ratio of 1:5:200, mixing of euqual volumes of protein and reservoir solution, the latter containing 12-16% w/v PEG 4000, 1% DMSO, 100 mM N-(2-acetamido)iminodiacetic acid, pH 6.8, and 100-250 mM ammonium acetate, 22°C, 4 days, X-ray diffraction structure determination and analysis at 1.8-2.1 A resolution, modelling, overview | Mycobacterium tuberculosis |
Inhibitors | Comment | Organism | Structure |
---|---|---|---|
2-(o-tolyloxy)-5-hexylphenol | i.e. PT70, a slow, tight binding inhibitor of InhA. PT70 binds preferentially to the InhA-NAD+ complex, binding structure, overview. It has a residence time of 24 min on the target, which is 14000times longer than that of the rapid reversible inhibitor from which it is derived. The slow onset inhibition is coupled to ordering of an active site loop, which leads to the closure of the substrate-binding pocke | Mycobacterium tuberculosis |
Natural Substrates | Organism | Comment (Nat. Sub.) | Natural Products | Comment (Nat. Pro.) | Rev. | Reac. |
---|---|---|---|---|---|---|
an acyl-[acyl-carrier protein] + NAD+ | Mycobacterium tuberculosis | - |
a trans-2,3-dehydroacyl-[acyl-carrier protein] + NADH + H+ | - |
? | |
an acyl-[acyl-carrier protein] + NAD+ | Mycobacterium tuberculosis H37Rv | - |
a trans-2,3-dehydroacyl-[acyl-carrier protein] + NADH + H+ | - |
? |
Organism | UniProt | Comment | Textmining |
---|---|---|---|
Mycobacterium tuberculosis | P9WGR1 | - |
- |
Mycobacterium tuberculosis H37Rv | P9WGR1 | - |
- |
Purification (Comment) | Organism |
---|---|
recombinant His-tagged InhA from Escherichia coli BL21(DE3) by nickel affinity chromatography and gel filtration | Mycobacterium tuberculosis |
Substrates | Comment Substrates | Organism | Products | Comment (Products) | Rev. | Reac. |
---|---|---|---|---|---|---|
an acyl-[acyl-carrier protein] + NAD+ | - |
Mycobacterium tuberculosis | a trans-2,3-dehydroacyl-[acyl-carrier protein] + NADH + H+ | - |
? | |
an acyl-[acyl-carrier protein] + NAD+ | - |
Mycobacterium tuberculosis H37Rv | a trans-2,3-dehydroacyl-[acyl-carrier protein] + NADH + H+ | - |
? | |
additional information | activity detection using trans-2-dodecenyl-CoA and NADH as substrate and cofactor | Mycobacterium tuberculosis | ? | - |
? | |
additional information | activity detection using trans-2-dodecenyl-CoA and NADH as substrate and cofactor | Mycobacterium tuberculosis H37Rv | ? | - |
? |
Synonyms | Comment | Organism |
---|---|---|
enoyl-ACP reductase | - |
Mycobacterium tuberculosis |
InhA | - |
Mycobacterium tuberculosis |
pH Optimum Minimum | pH Optimum Maximum | Comment | Organism |
---|---|---|---|
6.8 | - |
assay at | Mycobacterium tuberculosis |
Cofactor | Comment | Organism | Structure |
---|---|---|---|
NAD+ | binding structure, overview | Mycobacterium tuberculosis |
Ki Value [mM] | Ki Value maximum [mM] | Inhibitor | Comment | Organism | Structure |
---|---|---|---|---|---|
additional information | - |
additional information | inhibition kinetics, overview | Mycobacterium tuberculosis | |
0.000000022 | - |
2-(o-tolyloxy)-5-hexylphenol | pH 6.8, temperature not specified in the publication | Mycobacterium tuberculosis |
IC50 Value | IC50 Value Maximum | Comment | Organism | Inhibitor | Structure |
---|---|---|---|---|---|
0.0000053 | - |
pH 6.8, temperature not specified in the publication | Mycobacterium tuberculosis | 2-(o-tolyloxy)-5-hexylphenol |