8D1C

Crystal structure of T252E-CYP199A4 in complex with 4-(Trifluoromethoxy)benzoic acid

8D1C の概要

• エントリーDOI: 10.2210/pdb8d1c/pdb
• 分子名称: Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE, 4-(trifluoromethoxy)benzoic acid, ... (5 entities in total)
• 機能のキーワード: cytochrome, bacterial p450, 4-trifluoromethoxybenzoic acid, oxidoreductase
• 由来する生物種: Rhodopseudomonas palustris
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 45473.50

構造登録者

Lee, J.H.Z.,Bruning, J.B.,Bell, S.G. (登録日: 2022-05-27, 公開日: 2023-03-01, 最終更新日: 2023-10-25)

主引用文献

Lee, J.H.Z.,Podgorski, M.N.,Moir, M.,Gee, A.R.,Bell, S.G.
Selective Oxidations Using a Cytochrome P450 Enzyme Variant Driven with Surrogate Oxygen Donors and Light.
Chemistry, 28:e202201366-e202201366, 2022

PubMed Abstract: Cytochrome P450 monooxygenase enzymes are versatile catalysts, which have been adapted for multiple applications in chemical synthesis. Mutation of a highly conserved active site threonine to a glutamate can convert these enzymes into peroxygenases that utilise hydrogen peroxide (H O ). Here, we use the T252E-CYP199A4 variant to study peroxide-driven oxidation activity by using H O and urea-hydrogen peroxide (UHP). We demonstrate that the T252E variant has a higher stability to H O in the presence of substrate that can undergo carbon-hydrogen abstraction. This peroxygenase variant could efficiently catalyse O-demethylation and an enantioselective epoxidation reaction (94 % ee). Neither the monooxygenase nor peroxygenase pathways of the P450 demonstrated a significant kinetic isotope effect (KIE) for the oxidation of deuterated substrates. These new peroxygenase variants offer the possibility of simpler cytochrome P450 systems for selective oxidations. To demonstrate this, a light driven H O generating system was used to support efficient product formation with this peroxygenase enzyme.

PubMed: 35712785
DOI: 10.1002/chem.202201366

実験手法

X-RAY DIFFRACTION (1.95 Å)