4URE

Molecular Genetic and Crystal Structural Analysis of 1-(4- Hydroxyphenyl)-Ethanol Dehydrogenase from Aromatoleum aromaticum EbN1

4URE の概要

• エントリーDOI: 10.2210/pdb4ure/pdb
• 関連するPDBエントリー: 4URF
• 分子名称: CYCLOHEXANOL DEHYDROGENASE, SULFATE ION, MAGNESIUM ION, ... (6 entities in total)
• 機能のキーワード: oxidoreductase, short chain dehydrogenase, aromatic compounds, anaerobic degradation, alcohol dehydrogenase, molecular genetics, stereochemistry
• 由来する生物種: AROMATOLEUM AROMATICUM EBN1
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 53076.13

構造登録者

Buesing, I.,Hoeffken, H.W.,Breuer, M.,Woehlbrand, L.,Hauer, B.,Rabus, R. (登録日: 2014-06-28, 公開日: 2015-07-08, 最終更新日: 2024-01-10)

主引用文献

Busing, I.,Hoffken, H.W.,Breuer, M.,Wohlbrand, L.,Hauer, B.,Rabus, R.
Molecular Genetic and Crystal Structural Analysis of 1-(4-Hydroxyphenyl)-Ethanol Dehydrogenase from 'Aromatoleum Aromaticum' Ebn1.
J.Mol.Microbiol.Biotechnol., 25:327-, 2015

PubMed Abstract: The dehydrogenation of 1-(4-hydroxyphenyl)-ethanol to 4-hydroxyacetophenone represents the second reaction step during anaerobic degradation of p-ethylphenol in the denitrifying bacterium 'Aromatoleum aromaticum' EbN1. Previous proteogenomic studies identified two different proteins (ChnA and EbA309) as possible candidates for catalyzing this reaction [Wöhlbrand et al: J Bacteriol 2008;190:5699-5709]. Physiological-molecular characterization of newly generated unmarked in-frame deletion and complementation mutants allowed defining ChnA (renamed here as Hped) as the enzyme responsible for 1-(4-hydroxyphenyl)-ethanol oxidation. Hped [1-(4-hydroxyphenyl)-ethanol dehydrogenase] belongs to the 'classical' family within the short-chain alcohol dehydrogenase/reductase (SDR) superfamily. Hped was overproduced in Escherichia coli, purified and crystallized. The X-ray structures of the apo- and NAD(+)-soaked form were resolved at 1.5 and 1.1 Å, respectively, and revealed Hped as a typical homotetrameric SDR. Modeling of the substrate 4-hydroxyacetophenone (reductive direction of Hped) into the active site revealed the structural determinants of the strict (R)-specificity of Hped (Phe(187)), contrasting the (S)-specificity of previously reported 1-phenylethanol dehydrogenase (Ped; Tyr(93)) from strain EbN1 [Höffken et al: Biochemistry 2006;45:82-93].

PubMed: 26488297
DOI: 10.1159/000439113

実験手法

X-RAY DIFFRACTION (1.4 Å)