5G6S

Imine reductase from Aspergillus oryzae in complex with NADP(H) and (R)-rasagiline

5G6S の概要

• エントリーDOI: 10.2210/pdb5g6s/pdb
• 関連するPDBエントリー: 5G6R
• 分子名称: IMINE REDUCTASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, RASAGILINE, ... (4 entities in total)
• 機能のキーワード: oxidoreductase, imine reductase, nadph, amine
• 由来する生物種: ASPERGILLUS ORYZAE
• タンパク質・核酸の鎖数: 8
• 化学式量合計: 256794.21

構造登録者

Man, H.,Aleku, G.,Turner, N.J.,Grogan, G. (登録日: 2016-06-23, 公開日: 2017-05-31, 最終更新日: 2024-01-10)

主引用文献

Aleku, G.A.,France, S.P.,Man, H.,Mangas-Sanchez, J.,Montgomery, S.L.,Sharma, M.,Leipold, F.,Hussain, S.,Grogan, G.,Turner, N.J.
A reductive aminase from Aspergillus oryzae.
Nat Chem, 9:961-969, 2017

PubMed Abstract: Reductive amination is one of the most important methods for the synthesis of chiral amines. Here we report the discovery of an NADP(H)-dependent reductive aminase from Aspergillus oryzae (AspRedAm, Uniprot code Q2TW47) that can catalyse the reductive coupling of a broad set of carbonyl compounds with a variety of primary and secondary amines with up to >98% conversion and with up to >98% enantiomeric excess. In cases where both carbonyl and amine show high reactivity, it is possible to employ a 1:1 ratio of the substrates, forming amine products with up to 94% conversion. Steady-state kinetic studies establish that the enzyme is capable of catalysing imine formation as well as reduction. Crystal structures of AspRedAm in complex with NADP(H) and also with both NADP(H) and the pharmaceutical ingredient (R)-rasagiline are reported. We also demonstrate preparative scale reductive aminations with wild-type and Q240A variant biocatalysts displaying total turnover numbers of up to 32,000 and space time yields up to 3.73 g l d.

PubMed: 28937665
DOI: 10.1038/nchem.2782

実験手法

X-RAY DIFFRACTION (2.35 Å)