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Literature summary extracted from

  • Vianna, C.P.; de Azevedo, W.F.
    Identification of new potential Mycobacterium tuberculosis shikimate kinase inhibitors through molecular docking simulations (2012), J. Mol. Model., 18, 755-764.
    View publication on PubMed

Application

EC Number Application Comment Organism
2.7.1.71 drug development the enzyme is an attractive drug target as it is vital for the survival of Mycobacterium tuberculosis but absent in mammalian hosts Mycobacterium tuberculosis

Inhibitors

EC Number Inhibitors Comment Organism Structure
2.7.1.71 (4R,7S,8aS)-4-[3-(morpholin-4-yl)-3-oxopropyl]-7-[[4-(trifluoromethoxy)benzyl]amino]hexahydropyrrolo[1,2-a]pyrazin-1(2H)-one
-
 Mycobacterium tuberculosis
2.7.1.71 (4R,7S,8aS)-4-[3-oxo-3-(piperidin-1-yl)propyl]-7-[[4-(trifluoromethoxy)benzyl]amino]hexahydropyrrolo[1,2-a]pyrazin-1(2H)-one
-
 Mycobacterium tuberculosis
2.7.1.71 1-[(3S,5S)-5-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrolidin-3-yl]-3-propan-2-ylurea
-
 Mycobacterium tuberculosis
2.7.1.71 2-(3-methyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)-1-(1,2,3,4-tetrahydro-9H-carbazol-9-yl)ethanone
-
 Mycobacterium tuberculosis
2.7.1.71 2-([[3-([(3R,4S)-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidin-3-yl]methyl)-1,2-oxazol-5-yl]methyl]carbamoyl)benzoic acid
-
 Mycobacterium tuberculosis
2.7.1.71 5-[(6S)-5-[[5-(hydroxymethyl)furan-2-yl]methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl]-3-[4-(trifluoromethoxy)phenyl]-2H-1,2,4-oxadiazol-1-ium
-
 Mycobacterium tuberculosis
2.7.1.71 6-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-5-(3-phenylpropyl)-3a,4,5,6,7,7a-hexahydro-1H-imidazo[4,5-c]pyridine
-
 Mycobacterium tuberculosis
2.7.1.71 ethyl 4-[([(6S)-6-[4-(propan-2-yl)furan-2-yl]-3,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl]carbonyl)amino]benzoate
-
 Mycobacterium tuberculosis
2.7.1.71 additional information molecular docking simulations, Re-docking and cross-docking, and virtual screening for potential inhibitors, analysis of interactions between inhibitors and enzyme residues, overview Mycobacterium tuberculosis
2.7.1.71 staurosporine
-
 Mycobacterium tuberculosis
2.7.1.71 ZINC15707188
-
 Mycobacterium tuberculosis

Metals/Ions

EC Number Metals/Ions Comment Organism Structure
2.7.1.71 Mg2+ required Mycobacterium tuberculosis

Natural Substrates/ Products (Substrates)

EC Number Natural Substrates Organism Comment (Nat. Sub.) Natural Products Comment (Nat. Pro.) Rev. Reac.
2.7.1.71 ATP + shikimate Mycobacterium tuberculosis
-
 ADP + 3-phosphoshikimate
-
 ?

Organism

EC Number Organism UniProt Comment Textmining
2.7.1.71 Mycobacterium tuberculosis
-
-
-

Substrates and Products (Substrate)

EC Number Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
2.7.1.71 ATP + shikimate
-
 Mycobacterium tuberculosis ADP + 3-phosphoshikimate
-
 ?
2.7.1.71 ATP + shikimate specific phosphorylation of the 3-hydroxy group of shikimate Mycobacterium tuberculosis ADP + 3-phosphoshikimate
-
 ?

Cofactor

EC Number Cofactor Comment Organism Structure
2.7.1.71 ATP
-
 Mycobacterium tuberculosis

General Information

EC Number General Information Comment Organism
2.7.1.71 evolution the enzyme is a member of the nucleoside monophosphate kinases (NMP kinases) family, which show large conformational changes during catalysis Mycobacterium tuberculosis
2.7.1.71 metabolism shikimate kinase is the fifth enzyme in the shikimate pathway Mycobacterium tuberculosis
2.7.1.71 additional information modeling of the shikimate-binding pocket with main residues involved in intermolecular interactions with shikimate, overview Mycobacterium tuberculosis
2.7.1.71 physiological function shikimate kinase is vital for the survival of Mycobacterium tuberculosis Mycobacterium tuberculosis