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Literature summary extracted from

  • Howard, N.I.; Dias, M.V.; Peyrot, F.; Chen, L.; Schmidt, M.F.; Blundell, T.L.; Abell, C.
    Design and structural analysis of aromatic inhibitors of type II dehydroquinase from Mycobacterium tuberculosis (2015), ChemMedChem, 10, 116-133 .
    View publication on PubMed

Crystallization (Commentary)

EC Number Crystallization (Comment) Organism
4.2.1.10 in complex with inhibitors 5-[(3-nitrobenzyl)amino]benzene-1,3-dicarboxylic acid and 3,4-dihydroxy-5-((3-nitrobenzyl)oxy)benzoic acid Mycobacterium tuberculosis

Inhibitors

EC Number Inhibitors Comment Organism Structure
4.2.1.10 3,4-dihydroxy-5-((3-nitrobenzyl)oxy)benzoic acid most potent isophthalate inhibitor found Mycobacterium tuberculosis
4.2.1.10 5-[(3-nitrobenzyl)amino]benzene-1,3-dicarboxylic acid most potent gallate-based inhibitor found Mycobacterium tuberculosis

Organism

EC Number Organism UniProt Comment Textmining
4.2.1.10 Mycobacterium tuberculosis P9WPX7
-
-
4.2.1.10 Mycobacterium tuberculosis ATCC 25618 P9WPX7
-
-

Substrates and Products (Substrate)

EC Number Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
4.2.1.10 5-dehydroquinate
-
Mycobacterium tuberculosis dehydroshikimate + H2O
-
?
4.2.1.10 5-dehydroquinate
-
Mycobacterium tuberculosis ATCC 25618 dehydroshikimate + H2O
-
?

Ki Value [mM]

EC Number Ki Value [mM] Ki Value maximum [mM] Inhibitor Comment Organism Structure
4.2.1.10 0.0075
-
5-[(3-nitrobenzyl)amino]benzene-1,3-dicarboxylic acid pH 7.0, 25°C Mycobacterium tuberculosis
4.2.1.10 0.01
-
3,4-dihydroxy-5-((3-nitrobenzyl)oxy)benzoic acid pH 7.0, 25°C Mycobacterium tuberculosis