2VD8

The crystal structure of alanine racemase from Bacillus anthracis (BA0252)

2VD8 の概要

• エントリーDOI: 10.2210/pdb2vd8/pdb
• 関連するPDBエントリー: 2VD9
• 分子名称: ALANINE RACEMASE, PYRIDOXAL-5'-PHOSPHATE, MAGNESIUM ION, ... (5 entities in total)
• 機能のキーワード: pyridoxal 5'-phosphate, peptidoglycan synthesis, plp, oppf, l-alanine, isomerase, d- alanine, pyridoxal phosphate, structural genomics, alanine racemase, spore germination, oxford protein production facility, structural proteomics in europe (spine)
• 由来する生物種: BACILLUS ANTHRACIS
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 89399.72

構造登録者

Au, K.,Ren, J.,Walter, T.S.,Harlos, K.,Nettleship, J.E.,Owens, R.J.,Stuart, D.I.,Esnouf, R.M.,Oxford Protein Production Facility (OPPF),Structural Proteomics in Europe (SPINE) (登録日: 2007-10-01, 公開日: 2008-05-20, 最終更新日: 2023-12-13)

主引用文献

Au, K.,Ren, J.,Walter, T.S.,Harlos, K.,Nettleship, J.E.,Owens, R.J.,Stuart, D.I.,Esnouf, R.M.
Structures of an Alanine Racemase from Bacillus Anthracis (Ba0252) in the Presence and Absence of (R)-1-Aminoethylphosphonic Acid (L-Ala-P).
Acta Crystallogr.,Sect.F, 64:327-, 2008

PubMed Abstract: Bacillus anthracis, the causative agent of anthrax, has been targeted by the Oxford Protein Production Facility to validate high-throughput protocols within the Structural Proteomics in Europe project. As part of this work, the structures of an alanine racemase (BA0252) in the presence and absence of the inhibitor (R)-1-aminoethylphosphonic acid (L-Ala-P) have determined by X-ray crystallography to resolutions of 2.1 and 1.47 A, respectively. Difficulties in crystallizing this protein were overcome by the use of reductive methylation. Alanine racemase has attracted much interest as a possible target for anti-anthrax drugs: not only is D-alanine a vital component of the bacterial cell wall, but recent studies also indicate that alanine racemase, which is accessible in the exosporium, plays a key role in inhibition of germination in B. anthracis. These structures confirm the binding mode of L-Ala-P but suggest an unexpected mechanism of inhibition of alanine racemase by this compound and could provide a basis for the design of improved alanine racemase inhibitors with potential as anti-anthrax therapies.

PubMed: 18453697
DOI: 10.1107/S1744309108007252

実験手法

X-RAY DIFFRACTION (1.47 Å)