8VCN

GluER mutant - W66F F269Y Q293T F68Y T36E P263L

8VCN の概要

• エントリーDOI: 10.2210/pdb8vcn/pdb
• 関連するPDBエントリー: 6MYW
• 分子名称: N-ethylmaleimide reductase, ACETATE ION, GLYCEROL, ... (5 entities in total)
• 機能のキーワード: g oxydans, old yellow enzyme, lactam cyclase, gluer mutant, oxidoreductase
• 由来する生物種: Gluconobacter oxydans
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 40943.69

構造登録者

Jeffrey, P.D.,Sorigue, D.R.,Liu, Y.,Hyster, T.K. (登録日: 2023-12-14, 公開日: 2024-03-13, 最終更新日: 2024-03-27)

主引用文献

Liu, Y.,Bender, S.G.,Sorigue, D.,Diaz, D.J.,Ellington, A.D.,Mann, G.,Allmendinger, S.,Hyster, T.K.
Asymmetric Synthesis of alpha-Chloroamides via Photoenzymatic Hydroalkylation of Olefins.
J.Am.Chem.Soc., 146:7191-7197, 2024

PubMed Abstract: Photoenzymatic intermolecular hydroalkylations of olefins are highly enantioselective for chiral centers formed during radical termination but poorly selective for centers set in the C-C bond-forming event. Here, we report the evolution of a flavin-dependent "ene"-reductase to catalyze the coupling of α,α-dichloroamides with alkenes to afford α-chloroamides in good yield with excellent chemo- and stereoselectivity. These products can serve as linchpins in the synthesis of pharmaceutically valuable motifs. Mechanistic studies indicate that radical formation occurs by exciting a charge-transfer complex templated by the protein. Precise control over the orientation of molecules within the charge-transfer complex potentially accounts for the observed stereoselectivity. The work expands the types of motifs that can be prepared using photoenzymatic catalysis.

PubMed: 38442365
DOI: 10.1021/jacs.4c00927

実験手法

X-RAY DIFFRACTION (1.47 Å)