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 | 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 | Comment | Organism | Structure |
---|---|---|---|
Mg2+ | required | Mycobacterium tuberculosis |
Natural Substrates | Organism | Comment (Nat. Sub.) | Natural Products | Comment (Nat. Pro.) | Rev. | Reac. |
---|---|---|---|---|---|---|
ATP + shikimate | Mycobacterium tuberculosis | - |
ADP + 3-phosphoshikimate | - |
? |
Organism | UniProt | Comment | Textmining |
---|---|---|---|
Mycobacterium tuberculosis | - |
- |
- |
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 | Comment | Organism | Structure |
---|---|---|---|
ATP | - |
Mycobacterium tuberculosis |
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 |