4XIH

Crystal structure of the R116A mutant AhpE from Mycobacterium tuberculosis

4XIH の概要

• エントリーDOI: 10.2210/pdb4xih/pdb
• 関連するPDBエントリー: 1XVW 1XXU 4X0X 4X1U
• 分子名称: AhpC/TSA family protein (2 entities in total)
• 機能のキーワード: peroxiredoxins, oxidoreductase
• 由来する生物種: Mycobacterium tuberculosis (strain CCDC5079)
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 33629.80

構造登録者

Tamu Dufe, V.,van Molle, I.,Pallo, A.,Messens, J. (登録日: 2015-01-07, 公開日: 2016-06-29, 最終更新日: 2024-01-10)

主引用文献

Pedre, B.,van Bergen, L.A.,Pallo, A.,Rosado, L.A.,Dufe, V.T.,Molle, I.V.,Wahni, K.,Erdogan, H.,Alonso, M.,Proft, F.D.,Messens, J.
The active site architecture in peroxiredoxins: a case study on Mycobacterium tuberculosis AhpE.
Chem.Commun.(Camb.), 52:10293-10296, 2016

PubMed Abstract: Peroxiredoxins catalyze the reduction of peroxides, a process of vital importance to survive oxidative stress. A nucleophilic cysteine, also known as the peroxidatic cysteine, is responsible for this catalytic process. We used the Mycobacterium tuberculosis alkyl hydroperoxide reductase E (MtAhpE) as a model to investigate the effect of the chemical environment on the specificity of the reaction. Using an integrative structural (R116A - PDB ; F37H - PDB ), kinetic and computational approach, we explain the mutational effects of key residues in its environment. This study shows that the active site residues are specifically oriented to create an environment which selectively favours a reaction with peroxides.

PubMed: 27471753
DOI: 10.1039/c6cc02645a

実験手法

X-RAY DIFFRACTION (2.25 Å)