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Literature summary for 2.5.1.78 extracted from

  • Morgunova, E.; Illarionov, B.; Saller, S.; Popov, A.; Sambaiah, T.; Bacher, A.; Cushman, M.; Fischer, M.; Ladenstein, R.
    Structural study and thermodynamic characterization of inhibitor binding to lumazine synthase from Bacillus anthracis (2010), Acta Crystallogr. Sect. D, 66, 1001-1011.
    View publication on PubMedView publication on EuropePMC
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Crystallization (Commentary)

Crystallization (Comment) Organism
to 3.5 A resolution. Structure reveals the icosahedral symmetry of the enzyme. Structure-based modeling of inhibitors 4-(6-chloro-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-yl)-n-butyl 1-phosphate, 5-(6-chloro-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-yl)-n-pentyl 1-phosphonate, 5-(6-chloro-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-yl)-6-keton-hexyl 1-phosphate in the active site Bacillus anthracis

Inhibitors

Inhibitors Comment Organism Structure
4-(6-chloro-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-yl)-n-butyl 1-phosphate competitive Bacillus anthracis
5-(6-chloro-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-5-oxopentyl phosphate competitive Bacillus anthracis
5-(6-chloro-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-yl)-n-pentyl 1-phosphonate competitive Bacillus anthracis

Organism

Organism UniProt Comment Textmining
Bacillus anthracis
-
-
-

Ki Value [mM]

Ki Value [mM] Ki Value maximum [mM] Inhibitor Comment Organism Structure
0.000023
-
 4-(6-chloro-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-yl)-n-butyl 1-phosphate pH 7.0, temperature not specified in the publication Bacillus anthracis
0.00014
-
 5-(6-chloro-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-5-oxopentyl phosphate pH 7.0, temperature not specified in the publication Bacillus anthracis
0.00043
-
 5-(6-chloro-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-yl)-n-pentyl 1-phosphonate pH 7.0, temperature not specified in the publication Bacillus anthracis