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Literature summary 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)

EC Number Cloned (Comment) Organism
1.1.1.86 expression in Escherichia coli Mycobacterium tuberculosis

Inhibitors

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

Natural Substrates/ Products (Substrates)

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

Organism

EC Number Organism UniProt Comment Textmining
1.1.1.86 Mycobacterium tuberculosis P9WKJ7
-
-
1.1.1.86 Mycobacterium tuberculosis H37Rv P9WKJ7
-
-

Purification (Commentary)

EC Number Purification (Comment) Organism
1.1.1.86
-
 Mycobacterium tuberculosis

Substrates and Products (Substrate)

EC Number Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
1.1.1.86 (2S)-2-acetolactate + NADPH + H+
-
 Mycobacterium tuberculosis (R)-2,3-dihydroxyisovalerate + NADP+
-
 ?
1.1.1.86 (2S)-2-acetolactate + NADPH + H+
-
 Mycobacterium tuberculosis H37Rv (R)-2,3-dihydroxyisovalerate + NADP+
-
 ?
1.1.1.86 (S)-2-acetolactate + NADPH + H+ second enzyme in the branched-chain amino acid biosynthesis pathway Mycobacterium tuberculosis (R)-2,3-dihydroxyisovalerate + NADP+
-
 ?
1.1.1.86 (S)-2-acetolactate + NADPH + H+ second enzyme in the branched-chain amino acid biosynthesis pathway Mycobacterium tuberculosis H37Rv (R)-2,3-dihydroxyisovalerate + NADP+
-
 ?

Synonyms

EC Number Synonyms Comment Organism
1.1.1.86 KARI
-
 Mycobacterium tuberculosis

Ki Value [mM]

EC Number Ki Value [mM] Ki Value maximum [mM] Inhibitor Comment Organism Structure
1.1.1.86 0.00306
-
 N-[(4-methoxyphenyl)carbamoyl]-5-(5-nitrothiophen-2-yl)-1,3,4-thiadiazol-2-aminide pH 8.0, 25°C Mycobacterium tuberculosis
1.1.1.86 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

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