title: Structure-guided stereoselectivity inversion of a short-chain dehydrogenase/reductase towards halogenated acetophenones.
abstract: The structure-guided rational design of an NADH-dependent short-chain dehydrogenase/reductase (SDR) reversed the stereoselectivity towards halogenated acetophenones from Prelog to anti-Prelog. The enzyme-substrate interactions involving an aromatic ring and a halogen atom were proven to play critical roles in determining the stereoselectivity of these ketone reductions besides the steric repulsion.
authors.affiliation: Institute of Bioengineering, College of Chemical and Biological Engineering, Zhejiang University, Hangzhou 310027, P. R. China. yuhongwei@zju.edu.cn.
authors.forename: Aipeng
authors.initials: A
authors.lastname: Li
authors.forename: Lidan
authors.initials: L
authors.lastname: Ye
authors.forename: Xiaohong
authors.initials: X
authors.lastname: Yang
authors.forename: Chengcheng
authors.initials: C
authors.lastname: Yang
authors.forename: Jiali
authors.initials: J
authors.lastname: Gu
authors.forename: Hongwei
authors.initials: H
authors.lastname: Yu
mesh_terms: D000098:Acetophenones / Q000737:chemistry* / Q000378:metabolism; D054879:Halogenation; D008958:Models, Molecular; D015394:Molecular Structure; D010088:Oxidoreductases / Q000737:chemistry* / Q000378:metabolism; D013237:Stereoisomerism; D013379:Substrate Specificity
chemical_list: D000098:Acetophenones; D010088:Oxidoreductases