His126 Substitution Shifts Perakine Reductase Activity from Carbonyl Reduction to Ene Reduction

IF 4.9 1区化学 Q1 CHEMISTRY, ORGANIC

Organic Letters Pub Date : 2025-04-11 DOI:10.1021/acs.orglett.5c01160

Nannan Tu, Bin Liu, Yun Zhou, Junbo Gao, Yan Zhang, Xiangrui Jiang, Lianli Sun

引用次数: 0

Abstract

Perakine reductase (PR) is an aldo-keto reductase (AKR) carbonyl reductase. His126 is one of the AKR catalytic tetrads in PR. Substitution of His126 with any other amino acids except Gln switched PR to an ene reductase. Molecular simulation suggested that the substrate-binding pose and the properties of the 126 residue determined the chemoselectivity. Given the strict conservation of His126 in AKR superfamily carbonyl reductases, modification of the corresponding site is a feasible strategy to design AKR-derived novel ene reductases.

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来源期刊

Organic Letters 化学-有机化学

CiteScore

9.30

自引率

11.50%

发文量

1607

审稿时长

1.5 months

期刊介绍： Organic Letters invites original reports of fundamental research in all branches of the theory and practice of organic, physical organic, organometallic,medicinal, and bioorganic chemistry. Organic Letters provides rapid disclosure of the key elements of significant studies that are of interest to a large portion of the organic community. In selecting manuscripts for publication, the Editors place emphasis on the originality, quality and wide interest of the work. Authors should provide enough background information to place the new disclosure in context and to justify the rapid publication format. Back-to-back Letters will be considered. Full details should be reserved for an Article, which should appear in due course.