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Literature summary for 1.3.1.118 extracted from

  • Luckner, S.; Liu, N.; Am Ende, C.; Tonge, P.; Kisker, C.
    A slow, tight binding inhibitor of InhA, the enoyl-acyl carrier protein reductase from Mycobacterium tuberculosis (2010), J. Biol. Chem., 285, 14330-14337 .
    View publication on PubMedView publication on EuropePMC
Search for more literature for 1.3.1.118

Cloned(Commentary)

Cloned (Comment) Organism
expression in Escherichia coli BL21(DE3)pLysS Mycobacterium tuberculosis

Crystallization (Commentary)

Crystallization (Comment) Organism
hanging drop vapor diffusion technique, formation of the ternary enzyme/NAD+x012-(o-tolyloxy)-5-hexylphenol complex Mycobacterium tuberculosis

Inhibitors

Inhibitors Comment Organism Structure
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

Organism

Organism UniProt Comment Textmining
Mycobacterium tuberculosis P9WGR1
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-
Mycobacterium tuberculosis ATCC 25618 P9WGR1
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-

Purification (Commentary)

Purification (Comment) Organism
-
 Mycobacterium tuberculosis

Synonyms

Synonyms Comment Organism
enoyl-ACP reductase
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 Mycobacterium tuberculosis
InhA
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 Mycobacterium tuberculosis

Ki Value [mM]

Ki Value [mM] Ki Value maximum [mM] Inhibitor Comment Organism Structure
0.000022
-
 2-(o-tolyloxy)-5-hexylphenol pH 6.8, 23°C Mycobacterium tuberculosis

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.0000053
-
 pH 6.8, 23°C, at 10 nM enzyme concentration Mycobacterium tuberculosis 2-(o-tolyloxy)-5-hexylphenol
0.0000503
-
 pH 6.8, 23°C, at 100 nM enzyme concentration Mycobacterium tuberculosis 2-(o-tolyloxy)-5-hexylphenol