7WKQ

Crystal Structure of halohydrin dehalogenase from Acidimicrobiia bacterium

7WKQ の概要

• エントリーDOI: 10.2210/pdb7wkq/pdb
• 分子名称: halohydrin dehalogenase (1 entity in total)
• 機能のキーワード: halohydrin dehalogenase, biosynthetic protein
• 由来する生物種: Acidimicrobiia bacterium
• タンパク質・核酸の鎖数: 4
• 化学式量合計: 104774.98

構造登録者

Wan, N.W. (登録日: 2022-01-10, 公開日: 2022-02-23, 最終更新日: 2023-11-29)

主引用文献

Wang, H.H.,Wan, N.W.,Miao, R.P.,He, C.L.,Chen, Y.Z.,Liu, Z.Q.,Zheng, Y.G.
Identification and Structure Analysis of an Unusual Halohydrin Dehalogenase for Highly Chemo-, Regio- and Enantioselective Bio-Nitration of Epoxides.
Angew.Chem.Int.Ed.Engl., 61:e202205790-e202205790, 2022

PubMed Abstract: We report the discovery of an unusual halohydrin dehalogenase, HHDHamb, that can work under relatively low acidic conditions and extremely low temperatures for the bio-nitration of epoxides using nitrite as a nitrating agent. The bio-nitration strategy exhibits high chemo-, regio-, and enantioselectivity, catalyzing the kinetic resolution of various epoxides to enantiopure β-nitroalcohols with nitro-bearing stereocenters in up to 41 % isolated yield and >99 % enantiomeric excess (ee). Additionally, the bio-nitration method displays a high reaction efficiency and can be performed on a gram scale. We also solved the crystal structure of HHDHamb to understand the possible structural determinants of chemoselectivity control in the bio-nitration reaction.

PubMed: 35856897
DOI: 10.1002/anie.202205790

実験手法

X-RAY DIFFRACTION (2.89 Å)