Application | Comment | Organism |
---|---|---|
drug development | HisG represents a potential drug target for tuberculosis | Mycolicibacterium smegmatis |
drug development | HisG represents a potential drug target for tuberculosis | Mycobacterium tuberculosis |
Crystallization (Comment) | Organism |
---|---|
HisG co-crystallized with compound 6, to 2.9 A resolution | Mycobacterium tuberculosis |
Inhibitors | Comment | Organism | Structure |
---|---|---|---|
(4E)-4-[(4-chlorophenyl)(hydroxy)methylidene]-1-(pyridin-3-ylmethyl)-5-(3,4,5-trimethoxyphenyl)pyrrolidine-2,3-dione | binds to the cavity between the domains I and II. The terminal chlorobenzoyl group of 1 makes hydrophobic interactions with the amphiphilic pocket near the phosphoribosyl pyrophosphate binding site | Mycobacterium tuberculosis | |
1-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-3-(1,3-thiazol-2-yl)propan-2-one | most potent inhibitor, spans the PR-ATP binding site, exhibits greater than 50% inhibition at 0.01 mM, 40% inhibition at 0.001 mM | Mycobacterium tuberculosis | |
2-([7-[(3-hydroxyphenyl)amino]-4-nitro-2,1,3-benzoxadiazol-5-yl]amino)-5-nitrophenol | exhibits 46% inhibition | Mycobacterium tuberculosis | |
2-([7-[(3-hydroxyphenyl)amino]-4-nitro-2,1,3-benzoxadiazol-5-yl]amino)-5-nitrophenol | has whole-cell activity at 0.012 mM | Mycolicibacterium smegmatis | |
2-[(2-bromo-3,5-dinitrophenyl)carbonyl]-N-phenylhydrazinecarboxamide | exhibits 71% inhibition | Mycobacterium tuberculosis | |
2-[(2-bromo-3,5-dinitrophenyl)carbonyl]-N-phenylhydrazinecarboxamide | has whole-cell activity at 0.025 mM | Mycolicibacterium smegmatis | |
4-methoxybenzyl 2-methyl-5-oxo-4,7-dithiophen-2-yl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate | interacts with the phosphoribosyl diphosphate binding site but less strongly compared to compound 6 , exhibits greater than 50% inhibition at 0.01 mM | Mycobacterium tuberculosis | |
ethyl [(6-nitro-1,3-benzothiazol-2-yl)amino](oxo)acetate | exhibits 39% inhibition | Mycobacterium tuberculosis | |
N-[3-[(6-nitro-1,3-benzothiazol-2-yl)amino]-3-oxo-1-phenylpropyl]benzamide | occupies only the phosphoribosyl diphosphate binding site, exhibits greater than 50% inhibition at 0.01 mM, 35% inhibition at 0.001 mM | Mycobacterium tuberculosis |
Organism | UniProt | Comment | Textmining |
---|---|---|---|
Mycobacterium tuberculosis | P9WMN1 | - |
- |
Mycobacterium tuberculosis H37Rv | P9WMN1 | - |
- |
Mycolicibacterium smegmatis | - |
- |
- |
Substrates | Comment Substrates | Organism | Products | Comment (Products) | Rev. | Reac. |
---|---|---|---|---|---|---|
ATP + 5-phospho-alpha-D-ribose 1-diphosphate | - |
Mycobacterium tuberculosis | 1-(5-phospho-D-ribosyl)-ATP + diphosphate | - |
? | |
ATP + 5-phospho-alpha-D-ribose 1-diphosphate | - |
Mycobacterium tuberculosis H37Rv | 1-(5-phospho-D-ribosyl)-ATP + diphosphate | - |
? |
Synonyms | Comment | Organism |
---|---|---|
ATP phosphoribosyl transferase | - |
Mycolicibacterium smegmatis |
ATP phosphoribosyl transferase | - |
Mycobacterium tuberculosis |
ATP-PRTase | - |
Mycolicibacterium smegmatis |
ATP-PRTase | - |
Mycobacterium tuberculosis |
HisG | - |
Mycolicibacterium smegmatis |
HisG | - |
Mycobacterium tuberculosis |
Ki Value [mM] | Ki Value maximum [mM] | Inhibitor | Comment | Organism | Structure |
---|---|---|---|---|---|
0.002 | - |
1-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-3-(1,3-thiazol-2-yl)propan-2-one | - |
Mycobacterium tuberculosis | |
0.002 | - |
N-[3-[(6-nitro-1,3-benzothiazol-2-yl)amino]-3-oxo-1-phenylpropyl]benzamide | - |
Mycobacterium tuberculosis |
IC50 Value | IC50 Value Maximum | Comment | Organism | Inhibitor | Structure |
---|---|---|---|---|---|
0.004 | - |
- |
Mycobacterium tuberculosis | 1-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-3-(1,3-thiazol-2-yl)propan-2-one | |
0.0055 | - |
- |
Mycobacterium tuberculosis | 4-methoxybenzyl 2-methyl-5-oxo-4,7-dithiophen-2-yl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate | |
0.006 | - |
- |
Mycobacterium tuberculosis | N-[3-[(6-nitro-1,3-benzothiazol-2-yl)amino]-3-oxo-1-phenylpropyl]benzamide | |
0.0119 | - |
- |
Mycobacterium tuberculosis | (4E)-4-[(4-chlorophenyl)(hydroxy)methylidene]-1-(pyridin-3-ylmethyl)-5-(3,4,5-trimethoxyphenyl)pyrrolidine-2,3-dione | |
0.0139 | - |
- |
Mycobacterium tuberculosis | 2-[(2-bromo-3,5-dinitrophenyl)carbonyl]-N-phenylhydrazinecarboxamide |