2aq6

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spinqualitylabelsall models 2aq6, resolution 1.70Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image

X-ray crystal structure of mycobacterium tuberculosis pyridoxine 5'-phosphate oxidase complexed with pyridoxal 5'-phosphate at 1.7 a resolution

Overview

The X-ray crystal structure of a conserved hypothetical protein of, molecular weight 16.3 kDa from Mycobacterium tuberculosis corresponding to, open reading frame (ORF) Rv1155 has been solved by the multiwavelength, anomalous dispersion method and refined at 1.8 A resolution. The crystal, structure revealed that Rv1155 is a dimer in the crystal and that each, monomer folds into a large and a small domain; the large domain is a, six-stranded antiparallel beta-barrel flanked by two small alpha-helices, and the small domain is a helix-loop-helix motif. The dimer interface is, formed by residues protruding primarily from five of the six beta-strands, in each subunit. Based on structural similarity and on ligand binding, it, has been established that Rv1155 is a pyridoxine 5'-phosphate oxidase, the, Escherichia coli and human counterparts of which catalyse the terminal, step in the biosynthesis of pyridoxal 5'-phosphate (PLP), a cofactor used, by many enzymes involved in amino-acid metabolism. The structures of, flavin mononucleotide (FMN) and pyridoxal 5'-phosphate (PLP) bound, separately to Rv1155 have been determined at 2.2 and 1.7 A resolution, respectively. Only one monomer binds non-covalently to one FMN molecule or, to one PLP molecule. Arg55 and Lys57 are the key residues making hydrogen, bonds and ionic interactions with the phosphate and ribose groups of the, FMN molecule, whereas Arg55 and Arg129 provide hydrogen bonds and ionic, interactions with the phosphate group of the PLP. Structural comparisons, of Rv1155 from M. tuberculosis with its E. coli and human counterparts, demonstrate that the core structure is highly conserved and the, FMN-binding site is similarly disposed in each of the structures.

About this Structure

2AQ6 is a Single protein structure of sequence from Mycobacterium tuberculosis with as ligand. Full crystallographic information is available from OCA.

Reference

Structures of Mycobacterium tuberculosispyridoxine 5'-phosphate oxidase and its complexes with flavin mononucleotide and pyridoxal 5'-phosphate., Biswal BK, Cherney MM, Wang M, Garen C, James MN, Acta Crystallogr D Biol Crystallogr. 2005 Nov;61(Pt 11):1492-9. Epub 2005, Oct 19. PMID:16239726

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