6TF8

Structure of the engineered artificial aldolase I133F RA95.5-8F with a bound substrate, pentan-2-one

6TF8 の概要

• エントリーDOI: 10.2210/pdb6tf8/pdb
• 分子名称: RA95.5-8F_133F (2 entities in total)
• 機能のキーワード: artificial enzyme, aldolase, lyase
• 由来する生物種: Saccharolobus solfataricus P2
• タンパク質・核酸の鎖数: 4
• 化学式量合計: 116245.95

構造登録者

Mori, T.,Macdonald, D.S. (登録日: 2019-11-13, 公開日: 2020-06-03, 最終更新日: 2024-10-23)

主引用文献

Macdonald, D.S.,Garrabou, X.,Klaus, C.,Verez, R.,Mori, T.,Hilvert, D.
Engineered Artificial Carboligases Facilitate Regioselective Preparation of Enantioenriched Aldol Adducts.
J.Am.Chem.Soc., 142:10250-10254, 2020

PubMed Abstract: Controlling regio- and stereoselectivity of aldol additions is generally challenging. Here we show that an artificial aldolase with high specificity for acetone as the aldol donor can be reengineered via single active site mutations to accept linear and cyclic aliphatic ketones with notable efficiency, regioselectivity, and stereocontrol. Biochemical and crystallographic data show how the mutated residues modulate the binding and activation of specific aldol donors, as well as their subsequent reaction with diverse aldehyde acceptors. Broadening the substrate scope of this evolutionarily naïve catalyst proved much easier than previous attempts to redesign natural aldolases, suggesting that such proteins may be excellent starting points for the development of customized biocatalysts for diverse practical applications.

PubMed: 32427470
DOI: 10.1021/jacs.0c02351

実験手法

X-RAY DIFFRACTION (1.903 Å)