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Literature summary for 5.4.99.18 extracted from

  • Lei, H.; Jones, C.; Zhu, T.; Patel, K.; Wolf, N.M.; Fung, L.W.; Lee, H.; Johnson, M.E.
    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 .
    View publication on PubMed
Search for more literature for 5.4.99.18

Application

Application Comment Organism
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)

Cloned (Comment) Organism
recombinant expression of N-terminally His-tagged enzyme Bacillus anthracis

Inhibitors

Inhibitors Comment Organism Structure
(2-bromo-5-ethoxy-4-methoxyphenyl)methanol
-
 Bacillus anthracis
(2-ethoxyphenyl)(morpholino)methanethione
-
 Bacillus anthracis
(5-(2-chlorophenyl)isoxazol-3-yl)methanamine
-
 Bacillus anthracis
2-methyl-N-(5-methylthiazol-2-yl)furan-3-carboxamide
-
 Bacillus anthracis
3,4-dihydroxybenzoic acid a scaffold hit from library screening Bacillus anthracis
3-(4-methoxyphenyl)-1H-pyrazol-5-amine
-
 Bacillus anthracis
3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine
-
 Bacillus anthracis
4,5-dichlorobenzene-1,2-diol
-
 Bacillus anthracis
5-ethyl-N-(1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide 49% inhibition at 0.025 mM Bacillus anthracis
5-fluoro-1H-indole-2-carboxylic acid a scaffold hit from library screening Bacillus anthracis
6-methoxyquinolin-3-amine
-
 Bacillus anthracis
indoline-1-carbothioamide
-
 Bacillus anthracis
isoquinolin-1-amine a scaffold hit from library screening Bacillus anthracis
N-(3-fluorophenyl)-5-methylisoxazole-3-carboxamide
-
 Bacillus anthracis
N-(p-tolyl)-1,2,3,4-thiatriazol-5-amine 36% inhibition at 0.1 mM Bacillus anthracis
pyridin-4-yl(p-tolyl)methanamine
-
 Bacillus anthracis

Natural Substrates/ Products (Substrates)

Natural Substrates Organism Comment (Nat. Sub.) Natural Products Comment (Nat. Pro.) Rev. Reac.
5-carboxyamino-1-(5-phospho-D-ribosyl)imidazole Bacillus anthracis
-
 5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate
-
 r

Organism

Organism UniProt Comment Textmining
Bacillus anthracis A0A1S0QXP6
-
-

Purification (Commentary)

Purification (Comment) Organism
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)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
5-carboxyamino-1-(5-phospho-D-ribosyl)imidazole
-
 Bacillus anthracis 5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate
-
 r

Synonyms

Synonyms Comment Organism
BaPurE
-
 Bacillus anthracis
N5-carboxyaminoimidazole ribonucleotide mutase
-
 Bacillus anthracis
PurE
-
 Bacillus anthracis

Temperature Optimum [°C]

Temperature Optimum [°C] Temperature Optimum Maximum [°C] Comment Organism
25
-
 assay at Bacillus anthracis

pH Optimum

pH Optimum Minimum pH Optimum Maximum Comment Organism
7.5
-
 assay at Bacillus anthracis

General Information

General Information Comment Organism
metabolism enzyme PurE is involved in the de novo purine biosynthesis pathway Bacillus anthracis
physiological function enzyme PurE is crucial for Bacillus anthracis survival in serum Bacillus anthracis