5M4O

Crystal structure of hydroquinone 1,2-dioxygenase from Sphingomonas sp. TTNP3 in complex with 4-nitrophenol

5M4O の概要

• エントリーDOI: 10.2210/pdb5m4o/pdb
• 分子名称: Hydroquinone dioxygenase small subunit, Hydroquinone dioxygenase large subunit, FE (III) ION, ... (5 entities in total)
• 機能のキーワード: dioxygenase, cupin, oxidoreductase
• 由来する生物種: Sphingomonas sp. TTNP3; 詳細
• タンパク質・核酸の鎖数: 8
• 化学式量合計: 228022.21

構造登録者

Ferraroni, M.,Da Vela, S.,Scozzafava, A.,Kolvenbach, B.,Corvini, P.F.X. (登録日: 2016-10-18, 公開日: 2017-09-27, 最終更新日: 2024-05-08)

主引用文献

Ferraroni, M.,Da Vela, S.,Kolvenbach, B.A.,Corvini, P.F.,Scozzafava, A.
The crystal structures of native hydroquinone 1,2-dioxygenase from Sphingomonas sp. TTNP3 and of substrate and inhibitor complexes.
Biochim. Biophys. Acta, 1865:520-530, 2017

PubMed Abstract: The crystal structure of hydroquinone 1,2-dioxygenase, a Fe(II) ring cleaving dioxygenase from Sphingomonas sp. strain TTNP3, which oxidizes a wide range of hydroquinones to the corresponding 4-hydroxymuconic semialdehydes, has been solved by Molecular Replacement, using the coordinates of PnpCD from Pseudomonas sp. strain WBC-3. The enzyme is a heterotetramer, constituted of two subunits α and two β of 19 and 38kDa, respectively. Both the two subunits fold as a cupin, but that of the small α subunit lacks a competent metal binding pocket. Two tetramers are present in the asymmetric unit. Each of the four β subunits in the asymmetric unit binds one Fe(II) ion. The iron ion in each β subunit is coordinated to three protein residues, His258, Glu264, and His305 and a water molecule. The crystal structures of the complexes with the substrate methylhydroquinone, obtained under anaerobic conditions, and with the inhibitors 4-hydroxybenzoate and 4-nitrophenol were also solved. The structures of the native enzyme and of the complexes present significant differences in the active site region compared to PnpCD, the other hydroquinone 1,2-dioxygenase of known structure, and in particular they show a different coordination at the metal center.

PubMed: 28232026
DOI: 10.1016/j.bbapap.2017.02.013

実験手法

X-RAY DIFFRACTION (2.1 Å)