Literature summary for 1.5.1.3 extracted from

Beierlein, J.M.; Deshmukh, L.; Frey, K.M.; Vinogradova, O.; Anderson, A.C.
The solution structure of Bacillus anthracis dihydrofolate reductase yields insight into the analysis of structure-activity relationships for novel inhibitors (2009), Biochemistry, 48, 4100-4108.

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Application

Application	Comment	Organism
drug development	the essential enzyme is a target for development of specific inhibitors for treatment of the biodefense organism Bacillus anthracis	Bacillus anthracis

Cloned(Commentary)

Cloned (Comment)	Organism
expression as His-tagged enzyme in Escherichia coli strain BL21(DE3)	Bacillus anthracis

Inhibitors

Inhibitors	Comment	Organism	Structure
2,4-diamino-5-(3-(2,5-dimethoxyphenyl)prop-1-ynyl)-6-ethylpyrimidine	i.e. UCP120B, potent enzyme inhibitor of DHFR and bacterial growth, three-dimensional solution structure of the ternary complex with enzyme and NADPH cofactor determined by NMR from 20 mM TES, 50 mM KCl, 10 mM DTT, and 0.5 mM EDTA solution containing 2 mM of each ligand, comparison to the crystal structure of the ternary complex, overview. Analysis of structure and dynamics of the binary inhibitor-enzyme complex	Bacillus anthracis

Organism

Organism	UniProt	Comment	Textmining
Bacillus anthracis	Q81R22	-	-

Purification (Commentary)

Purification (Comment)	Organism
recombinant His-tagged enzyme from Escherichia coli strain BL21(DE3) by nickel affinity chromatography and gel filtration to homogeneity	Bacillus anthracis

Synonyms

Synonyms	Comment	Organism
DHFR	-	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	-	assay at	Bacillus anthracis

IC50 Value

IC50 Value	IC50 Value Maximum	Comment	Organism	Inhibitor	Structure
0.00089	-	pH 7.0, 25°C	Bacillus anthracis	2,4-diamino-5-(3-(2,5-dimethoxyphenyl)prop-1-ynyl)-6-ethylpyrimidine

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Release 2023.1 (January 2023)