3ZO7

Crystal structure of ClcFE27A with substrate

3ZO7 の概要

• エントリーDOI: 10.2210/pdb3zo7/pdb
• 関連するPDBエントリー: 3ZNJ 3ZNU
• 分子名称: 5-CHLOROMUCONOLACTONE DEHALOGENASE, (2S)-2-chloranyl-2-[(2R)-5-oxidanylidene-2H-furan-2-yl]ethanoic acid, CHLORIDE ION, ... (4 entities in total)
• 機能のキーワード: lyase, ferredoxin fold, chlorocatechol pathway, dehalogenase
• 由来する生物種: RHODOCOCCUS OPACUS
• タンパク質・核酸の鎖数: 10
• 化学式量合計: 113788.69

構造登録者

Roth, C.,Groening, J.A.D.,Kaschabek, S.R.,Schloemann, M.,Straeter, N. (登録日: 2013-02-20, 公開日: 2013-03-06, 最終更新日: 2024-05-08)

主引用文献

Roth, C.,Janosch, A.D.,Kaschabek, S.R.,Schloemann, M.,Straeter, N.
Crystal Structure and Catalytic Mechanism of Chloromuconolactone Dehalogenase Clcf from Rhodococcus Opacus 1Cp.
Mol.Microbiol., 88:254-, 2013

PubMed Abstract: The actinobacterium Rhodococcus opacus 1CP possesses a so far unique variant of the modified 3-oxoadipate pathway for 3-chlorocatechol degradation. One important feature is the novel dehalogenase ClcF, which converts (4R,5S)-5-chloromuconolactone to E-dienelactone. ClcF is related to muconolactone isomerase (MLI, EC 5.3.3.4). The enzyme has a ferredoxin-type fold and forms a homodecamer of 52-symmetry, typical for the MLI family. The active site is formed by residues from two monomers. The complex structure of an E27A variant with bound substrate in conjunction with mutational studies indicate that E27 acts as the proton acceptor in a univalent single-base syn-dehydrohalogenation mechanism. Despite the evolutionary specialization of ClcF, the conserved active-site structures suggest that the proposed mechanism is representative for the MLI family. Furthermore, ClcF represents a novel type of dehalogenase based on an isomerase scaffold.

PubMed: 23421784
DOI: 10.1111/MMI.12182

実験手法

X-RAY DIFFRACTION (2.224 Å)