EC Number | Cloned (Comment) | Organism |
---|---|---|
1.3.1.9 | expression in Escherichia coli BL21(DE3)pLysS | Mycobacterium tuberculosis |
1.3.1.118 | expression in Escherichia coli BL21(DE3)pLysS | Mycobacterium tuberculosis |
EC Number | Crystallization (Comment) | Organism |
---|---|---|
1.3.1.9 | hanging drop vapor diffusion technique, formation of the ternary enzyme/NAD+x012-(o-tolyloxy)-5-hexylphenol complex | Mycobacterium tuberculosis |
1.3.1.118 | hanging drop vapor diffusion technique, formation of the ternary enzyme/NAD+x012-(o-tolyloxy)-5-hexylphenol complex | Mycobacterium tuberculosis |
EC Number | Inhibitors | Comment | Organism | Structure |
---|---|---|---|---|
1.3.1.9 | 2-(o-tolyloxy)-5-hexylphenol | i.e. PT70, slow, tight binding inhibitor. It binds preferentially to the enzyme/NAD+x01complex and has a residence time of 24 min on the target, which is 14000 times longer than that of the rapid reversible inhibitor from which it is derived. The 1.8 A crystal structure of the ternary complex between InhA, NAD+, and PT70 reveals the molecular details of enzyme inhibitor recognition and supports the hypothesis that slow onset inhibition is coupled to ordering of an active site loop, which leads to the closure of the substrate-binding pocket | Mycobacterium tuberculosis | |
1.3.1.118 | 2-(o-tolyloxy)-5-hexylphenol | i.e. PT70, slow, tight binding inhibitor. It binds preferentially to the enzyme/NAD+x01complex and has a residence time of 24 min on the target, which is 14000 times longer than that of the rapid reversible inhibitor from which it is derived. The 1.8 A crystal structure of the ternary complex between InhA, NAD+, and PT70 reveals the molecular details of enzyme inhibitor recognition and supports the hypothesis that slow onset inhibition is coupled to ordering of an active site loop, which leads to the closure of the substrate-binding pocket | Mycobacterium tuberculosis |
EC Number | Organism | UniProt | Comment | Textmining |
---|---|---|---|---|
1.3.1.9 | Mycobacterium tuberculosis | P9WGR1 | - |
- |
1.3.1.9 | Mycobacterium tuberculosis ATCC 25618 | P9WGR1 | - |
- |
1.3.1.118 | Mycobacterium tuberculosis | P9WGR1 | - |
- |
1.3.1.118 | Mycobacterium tuberculosis ATCC 25618 | P9WGR1 | - |
- |
EC Number | Purification (Comment) | Organism |
---|---|---|
1.3.1.9 | - |
Mycobacterium tuberculosis |
1.3.1.118 | - |
Mycobacterium tuberculosis |
EC Number | Synonyms | Comment | Organism |
---|---|---|---|
1.3.1.9 | enoyl-ACP reductase | - |
Mycobacterium tuberculosis |
1.3.1.9 | InhA | - |
Mycobacterium tuberculosis |
1.3.1.118 | enoyl-ACP reductase | - |
Mycobacterium tuberculosis |
1.3.1.118 | InhA | - |
Mycobacterium tuberculosis |
EC Number | Ki Value [mM] | Ki Value maximum [mM] | Inhibitor | Comment | Organism | Structure |
---|---|---|---|---|---|---|
1.3.1.9 | 0.000022 | - |
2-(o-tolyloxy)-5-hexylphenol | pH 6.8, 23°C | Mycobacterium tuberculosis | |
1.3.1.118 | 0.000022 | - |
2-(o-tolyloxy)-5-hexylphenol | pH 6.8, 23°C | Mycobacterium tuberculosis |
EC Number | IC50 Value | IC50 Value Maximum | Comment | Organism | Inhibitor | Structure |
---|---|---|---|---|---|---|
1.3.1.9 | 0.0000053 | - |
pH 6.8, 23°C, at 10 nM enzyme concentration | Mycobacterium tuberculosis | 2-(o-tolyloxy)-5-hexylphenol | |
1.3.1.9 | 0.0000503 | - |
pH 6.8, 23°C, at 100 nM enzyme concentration | Mycobacterium tuberculosis | 2-(o-tolyloxy)-5-hexylphenol | |
1.3.1.118 | 0.0000053 | - |
pH 6.8, 23°C, at 10 nM enzyme concentration | Mycobacterium tuberculosis | 2-(o-tolyloxy)-5-hexylphenol | |
1.3.1.118 | 0.0000503 | - |
pH 6.8, 23°C, at 100 nM enzyme concentration | Mycobacterium tuberculosis | 2-(o-tolyloxy)-5-hexylphenol |