Any feedback?
Please rate this page
(literature.php)
(0/150)

BRENDA support

Literature summary for 2.7.1.71 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
Search for more literature for 2.7.1.71

Application

Application Comment Organism
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

Inhibitors Comment Organism Structure
(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
(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
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-(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-([[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
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
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
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
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
staurosporine
-
 Mycobacterium tuberculosis
ZINC15707188
-
 Mycobacterium tuberculosis

Metals/Ions

Metals/Ions Comment Organism Structure
Mg2+ required Mycobacterium tuberculosis

Natural Substrates/ Products (Substrates)

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

Organism

Organism UniProt Comment Textmining
Mycobacterium tuberculosis
-
-
-

Substrates and Products (Substrate)

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

Cofactor

Cofactor Comment Organism Structure
ATP
-
 Mycobacterium tuberculosis

General Information

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