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Literature summary extracted from
- Identification of B. anthracis N(5)-carboxyaminoimidazole ribonucleotide mutase (PurE) active site binding compounds via fragment library screening (2016), Bioorg. Med. Chem., 24, 596-605 .
Application
| EC Number | Application | Comment | Organism |
|---|---|---|---|
| 5.4.99.18 | drug development | the enzyme in the de novo purine biosynthesis pathway is an attractive target for antibacterial drug design. Zenobia fragment library screening by saturation transfer difference nucleus magnetic resonance (STD-NMR), water-ligand observed via gradient spectroscopy (WaterLOGSY) NMR, and surface plasmon resonance (SPR) methods, method optimization, overview. The selected compouds are categorized into five different basic scaffolds, and at least two fragments from two different scaffolds exhibit inhibitory activity against the BaPurE enzyme | Bacillus anthracis |
Cloned(Commentary)
| EC Number | Cloned (Comment) | Organism |
|---|---|---|
| 5.4.99.18 | recombinant expression of N-terminally His-tagged enzyme | Bacillus anthracis |
Inhibitors
| EC Number | Inhibitors | Comment | Organism | Structure |
|---|---|---|---|---|
| 5.4.99.18 | (2-bromo-5-ethoxy-4-methoxyphenyl)methanol | - |
Bacillus anthracis |  |
| 5.4.99.18 | (2-ethoxyphenyl)(morpholino)methanethione | - |
Bacillus anthracis | |
| 5.4.99.18 | (5-(2-chlorophenyl)isoxazol-3-yl)methanamine | - |
Bacillus anthracis | |
| 5.4.99.18 | 2-methyl-N-(5-methylthiazol-2-yl)furan-3-carboxamide | - |
Bacillus anthracis | |
| 5.4.99.18 | 3,4-dihydroxybenzoic acid | a scaffold hit from library screening | Bacillus anthracis | |
| 5.4.99.18 | 3-(4-methoxyphenyl)-1H-pyrazol-5-amine | - |
Bacillus anthracis | |
| 5.4.99.18 | 3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine | - |
Bacillus anthracis | |
| 5.4.99.18 | 4,5-dichlorobenzene-1,2-diol | - |
Bacillus anthracis | |
| 5.4.99.18 | 5-ethyl-N-(1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide | 49% inhibition at 0.025 mM | Bacillus anthracis | |
| 5.4.99.18 | 5-fluoro-1H-indole-2-carboxylic acid | a scaffold hit from library screening | Bacillus anthracis | |
| 5.4.99.18 | 6-methoxyquinolin-3-amine | - |
Bacillus anthracis | |
| 5.4.99.18 | indoline-1-carbothioamide | - |
Bacillus anthracis | |
| 5.4.99.18 | isoquinolin-1-amine | a scaffold hit from library screening | Bacillus anthracis | |
| 5.4.99.18 | N-(3-fluorophenyl)-5-methylisoxazole-3-carboxamide | - |
Bacillus anthracis | |
| 5.4.99.18 | N-(p-tolyl)-1,2,3,4-thiatriazol-5-amine | 36% inhibition at 0.1 mM | Bacillus anthracis | |
| 5.4.99.18 | pyridin-4-yl(p-tolyl)methanamine | - |
Bacillus anthracis | |
Natural Substrates/ Products (Substrates)
| EC Number | Natural Substrates | Organism | Comment (Nat. Sub.) | Natural Products | Comment (Nat. Pro.) | Rev. | Reac. |
|---|---|---|---|---|---|---|---|
| 5.4.99.18 | 5-carboxyamino-1-(5-phospho-D-ribosyl)imidazole | Bacillus anthracis | - |
5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate | - |
r | |
Organism
| EC Number | Organism | UniProt | Comment | Textmining |
|---|---|---|---|---|
| 5.4.99.18 | Bacillus anthracis | A0A1S0QXP6 | - |
- |
Purification (Commentary)
| EC Number | Purification (Comment) | Organism |
|---|---|---|
| 5.4.99.18 | recombinant N-terminally His-tagged enzyme by nickel affinity chromatography, and tag cleavage by thrombin, followed by another step of nickel affinity chromatography, benzamidine affinity chromatography, and gel filtration | Bacillus anthracis |
Substrates and Products (Substrate)
| EC Number | Substrates | Comment Substrates | Organism | Products | Comment (Products) | Rev. | Reac. |
|---|---|---|---|---|---|---|---|
| 5.4.99.18 | 5-carboxyamino-1-(5-phospho-D-ribosyl)imidazole | - |
Bacillus anthracis | 5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate | - |
r | |
Synonyms
| EC Number | Synonyms | Comment | Organism |
|---|---|---|---|
| 5.4.99.18 | BaPurE | - |
Bacillus anthracis |
| 5.4.99.18 | N5-carboxyaminoimidazole ribonucleotide mutase | - |
Bacillus anthracis |
| 5.4.99.18 | PurE | - |
Bacillus anthracis |
Temperature Optimum [°C]
| EC Number | Temperature Optimum [°C] | Temperature Optimum Maximum [°C] | Comment | Organism |
|---|---|---|---|---|
| 5.4.99.18 | 25 | - |
assay at | Bacillus anthracis |
pH Optimum
| EC Number | pH Optimum Minimum | pH Optimum Maximum | Comment | Organism |
|---|---|---|---|---|
| 5.4.99.18 | 7.5 | - |
assay at | Bacillus anthracis |
General Information
| EC Number | General Information | Comment | Organism |
|---|---|---|---|
| 5.4.99.18 | metabolism | enzyme PurE is involved in the de novo purine biosynthesis pathway | Bacillus anthracis |
| 5.4.99.18 | physiological function | enzyme PurE is crucial for Bacillus anthracis survival in serum | Bacillus anthracis |
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