6SJI

The structure of thiocyanate dehydrogenase from Thioalkalivibrio paradoxus mutant with His 482 replaced by Gln

6SJI の概要

• エントリーDOI: 10.2210/pdb6sji/pdb
• 分子名称: thiocyanate dehydrogenase, COPPER (II) ION, SULFATE ION, ... (4 entities in total)
• 機能のキーワード: oxidoreductase, thiocyanate dehydrogenase, copper centers
• 由来する生物種: Thioalkalivibrio paradoxus ARh 1
• タンパク質・核酸の鎖数: 4
• 化学式量合計: 208705.95

構造登録者

Polyakov, K.M.,Tikhonova, T.V.,Rakitina, T.V.,Osipov, E.,Popov, V.O. (登録日: 2019-08-13, 公開日: 2019-09-18, 最終更新日: 2024-01-24)

主引用文献

Tikhonova, T.V.,Sorokin, D.Y.,Hagen, W.R.,Khrenova, M.G.,Muyzer, G.,Rakitina, T.V.,Shabalin, I.G.,Trofimov, A.A.,Tsallagov, S.I.,Popov, V.O.
Trinuclear copper biocatalytic center forms an active site of thiocyanate dehydrogenase.
Proc.Natl.Acad.Sci.USA, 117:5280-5290, 2020

PubMed Abstract: Biocatalytic copper centers are generally involved in the activation and reduction of dioxygen, with only few exceptions known. Here we report the discovery and characterization of a previously undescribed copper center that forms the active site of a copper-containing enzyme thiocyanate dehydrogenase (suggested EC 1.8.2.7) that was purified from the haloalkaliphilic sulfur-oxidizing bacterium of the genus ubiquitous in saline alkaline soda lakes. The copper cluster is formed by three copper ions located at the corners of a near-isosceles triangle and facilitates a direct thiocyanate conversion into cyanate, elemental sulfur, and two reducing equivalents without involvement of molecular oxygen. A molecular mechanism of catalysis is suggested based on high-resolution three-dimensional structures, electron paramagnetic resonance (EPR) spectroscopy, quantum mechanics/molecular mechanics (QM/MM) simulations, kinetic studies, and the results of site-directed mutagenesis.

PubMed: 32094184
DOI: 10.1073/pnas.1922133117

実験手法

X-RAY DIFFRACTION (1.8 Å)