4v7g

Crystal Structure of Lumazine Synthase from Bacillus Anthracis

spinqualitylabelsall models 4v7g, resolution 3.50Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 4v7g is a 90 chain structure with sequence from Bacillus anthracis. This structure supersedes the now removed PDB entries 1vsw, 1vsx and 3jv8. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Method: X-ray diffraction, Resolution 3.5Å Ligands: PO4 Resources: FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT Function RISB_BACAN Catalyzes the formation of 6,7-dimethyl-8-ribityllumazine by condensation of 5-amino-6-(D-ribitylamino)uracil with 3,4-dihydroxy-2-butanone 4-phosphate. This is the penultimate step in the biosynthesis of riboflavin.[HAMAP-Rule:MF_00178] Publication Abstract from PubMed The crystal structure of lumazine synthase from Bacillus anthracis was solved by molecular replacement and refined to R(cryst) = 23.7% (R(free) = 28.4%) at a resolution of 3.5 A. The structure reveals the icosahedral symmetry of the enzyme and specific features of the active site that are unique in comparison with previously determined orthologues. The application of isothermal titration calorimetry in combination with enzyme kinetics showed that three designed pyrimidine derivatives bind to lumazine synthase with micromolar dissociation constants and competitively inhibit the catalytic reaction. Structure-based modelling suggested the binding modes of the inhibitors in the active site and allowed an estimation of the possible contacts formed upon binding. The results provide a structural framework for the design of antibiotics active against B. anthracis. Structural study and thermodynamic characterization of inhibitor binding to lumazine synthase from Bacillus anthracis.,Morgunova E, Illarionov B, Saller S, Popov A, Sambaiah T, Bacher A, Cushman M, Fischer M, Ladenstein R Acta Crystallogr D Biol Crystallogr. 2010 Sep;66(Pt 9):1001-11. Epub 2010, Aug 13. PMID:20823551 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

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