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Literature summary for 1.1.1.86 extracted from

  • Krishna, V.S.; Zheng, S.; Rekha, E.M.; Guddat, L.W.; Sriram, D.
    Discovery and evaluation of novel Mycobacterium tuberculosis ketol-acid reductoisomerase inhibitors as therapeutic drug leads (2019), J. Comput. Aided Mol. Des., 33, 357-366 .
    View publication on PubMed

Cloned(Commentary)

Cloned (Comment) Organism
expression in Escherichia coli Mycobacterium tuberculosis

Inhibitors

Inhibitors Comment Organism Structure
(E)-[6-(4-fluorophenyl)-2-sulfanylidene-1,6-dihydropyrimidin-5(2H)-ylidene](4-methylphenyl)methanolate
-
Mycobacterium tuberculosis
N-[(4-methoxyphenyl)carbamoyl]-5-(5-nitrothiophen-2-yl)-1,3,4-thiadiazol-2-aminide
-
Mycobacterium tuberculosis

Natural Substrates/ Products (Substrates)

Natural Substrates Organism Comment (Nat. Sub.) Natural Products Comment (Nat. Pro.) Rev. Reac.
(S)-2-acetolactate + NADPH + H+ Mycobacterium tuberculosis second enzyme in the branched-chain amino acid biosynthesis pathway (R)-2,3-dihydroxyisovalerate + NADP+
-
?
(S)-2-acetolactate + NADPH + H+ Mycobacterium tuberculosis H37Rv second enzyme in the branched-chain amino acid biosynthesis pathway (R)-2,3-dihydroxyisovalerate + NADP+
-
?

Organism

Organism UniProt Comment Textmining
Mycobacterium tuberculosis P9WKJ7
-
-
Mycobacterium tuberculosis H37Rv P9WKJ7
-
-

Purification (Commentary)

Purification (Comment) Organism
-
Mycobacterium tuberculosis

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
(2S)-2-acetolactate + NADPH + H+
-
Mycobacterium tuberculosis (R)-2,3-dihydroxyisovalerate + NADP+
-
?
(2S)-2-acetolactate + NADPH + H+
-
Mycobacterium tuberculosis H37Rv (R)-2,3-dihydroxyisovalerate + NADP+
-
?
(S)-2-acetolactate + NADPH + H+ second enzyme in the branched-chain amino acid biosynthesis pathway Mycobacterium tuberculosis (R)-2,3-dihydroxyisovalerate + NADP+
-
?
(S)-2-acetolactate + NADPH + H+ second enzyme in the branched-chain amino acid biosynthesis pathway Mycobacterium tuberculosis H37Rv (R)-2,3-dihydroxyisovalerate + NADP+
-
?

Synonyms

Synonyms Comment Organism
KARI
-
Mycobacterium tuberculosis

Ki Value [mM]

Ki Value [mM] Ki Value maximum [mM] Inhibitor Comment Organism Structure
0.00306
-
N-[(4-methoxyphenyl)carbamoyl]-5-(5-nitrothiophen-2-yl)-1,3,4-thiadiazol-2-aminide pH 8.0, 25°C Mycobacterium tuberculosis
0.00371
-
(E)-[6-(4-fluorophenyl)-2-sulfanylidene-1,6-dihydropyrimidin-5(2H)-ylidene](4-methylphenyl)methanolate pH 8.0, 25°C Mycobacterium tuberculosis

General Information

General Information Comment Organism
drug target the enzyme is present in bacteria but not in humans, making it an attractive proposition for drug discovery Mycobacterium tuberculosis
metabolism second enzyme in the branched-chain amino acid biosynthesis pathway Mycobacterium tuberculosis