1LLU

THE TERNARY COMPLEX OF PSEUDOMONAS AERUGINOSA ALCOHOL DEHYDROGENASE WITH ITS COENZYME AND WEAK SUBSTRATE

1LLU の概要

• エントリーDOI: 10.2210/pdb1llu/pdb
• 関連するPDBエントリー: 1YKF
• 分子名称: Alcohol Dehydrogenase, ZINC ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... (5 entities in total)
• 機能のキーワード: enzyme-coenzyme-substrate complex, proton relay system, nadh, alcohol dehydrogenase, oxidoreductase
• 由来する生物種: Pseudomonas aeruginosa
• タンパク質・核酸の鎖数: 8
• 化学式量合計: 294452.20

構造登録者

Levin, I.,Meiri, G.,Peretz, M.,Frolow, F.,Burstein, Y. (登録日: 2002-04-30, 公開日: 2003-11-11, 最終更新日: 2023-08-16)

主引用文献

Levin, I.,Meiri, G.,Peretz, M.,Burstein, Y.,Frolow, F.
The ternary complex of Pseudomonas aeruginosa alcohol dehydrogenase with NADH and ethylene glycol.
Protein Sci., 13:1547-1556, 2004

PubMed Abstract: Pseudomonas aeruginosa alcohol dehydrogenase (PaADH; ADH, EC 1.1.1.1) catalyzes the reversible oxidation of primary and secondary alcohols to the corresponding aldehydes and ketones, using NAD as coenzyme. We crystallized the ternary complex of PaADH with its coenzyme and a substrate molecule and determined its structure at a resolution of 2.3 A, using the molecular replacement method. The PaADH tetramer comprises four identical chains of 342 amino acid residues each and obeys ~222-point symmetry. The PaADH monomer is structurally similar to alcohol dehydrogenase monomers from vertebrates, archaea, and bacteria. The stabilization of the ternary complex of PaADH, the coenzyme, and the poor substrate ethylene glycol (k(cat) = 4.5 sec(-1); Km > 200 mM) was due to the blocked exit of the coenzyme in the crystalline state, combined with a high (2.5 M) concentration of the substrate. The structure of the ternary complex presents the precise geometry of the Zn coordination complex, the proton-shuttling system, and the hydride transfer path. The ternary complex structure also suggests that the low efficiency of ethylene glycol as a substrate results from the presence of a second hydroxyl group in this molecule.

PubMed: 15152088
DOI: 10.1110/ps.03531404

実験手法

X-RAY DIFFRACTION (2.3 Å)