XFEL crystal structure of the reduced form of F87A/F393H P450BM3 with N-enanthyl-L-prolyl-L-phenylalanine in complex with styrene

XFEL crystal structure of the reduced form of F87A/F393H P450BM3 with N-enanthyl-L-prolyl-L-phenylalanine in complex with styrene Descriptor: (2S)-2-[[(2S)-1-heptylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, GLYCEROL, ... Authors: Nagao, S, Kuwano, W, Tosha, T, Yamashita, K, Stanfield, J.K, Kasai, C, Ariyasu, S, Shoji, O, Sugimoto, H, Kubo, M. Deposit date: 2024-02-11 Release date: 2025-02-12 Last modified: 2025-04-02 Method: X-RAY DIFFRACTION (1.6 Å) Cite: XFEL crystallography reveals catalytic cycle dynamics during non-native substrate oxidation by cytochrome P450BM3. Commun Chem, 8, 2025

X射线自由电子激光（X-ray Free Electron Laser, XFEL）解析的F87A/F393H突变型细胞色素P450BM3（cytochrome P450BM3）还原态晶体结构，该复合物结合了苯乙烯与N-庚基-L-脯氨酰-L-苯丙氨酸。结构描述符：(2S)-2-[[(2S)-1-庚基吡咯烷-2-基]羰基氨基]-3-苯基丙酸、双功能细胞色素P450/NADPH-细胞色素P450还原酶、甘油（GLYCEROL）等。
作者：Nagao, S、Kuwano, W、Tosha, T、Yamashita, K、Stanfield, J.K、Kasai, C、Ariyasu, S、Shoji, O、Sugimoto, H、Kubo, M
存档日期：2024-02-11
发布日期：2025-02-12
最后修改日期：2025-04-02
实验方法：X射线衍射（1.6 Å）
引用文献：XFEL晶体衍射揭示细胞色素P450BM3氧化非天然底物过程中的催化循环动力学，发表于《Communications Chemistry》，2025年第8卷