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

XFEL crystal structure of the oxygen-bound 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 (1.5 Å) Cite: XFEL crystallography reveals catalytic cycle dynamics during non-native substrate oxidation by cytochrome P450BM3. Commun Chem, 8, 2025

本数据集为结合N-庚基-L-脯氨酰-L-苯丙氨酸与苯乙烯复合物的F87A/F393H突变型细胞色素P450BM3（cytochrome P450BM3）氧结合态的X射线自由电子激光（XFEL，X-ray Free Electron Laser）晶体结构。描述符：(2S)-2-[[(2S)-1-庚基吡咯烷-2-基]甲酰胺基]-3-苯基丙酸。样本组分：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。存储日期：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（分辨率1.5 Å）。引用文献：XFEL晶体学揭示细胞色素P450BM3氧化非天然底物过程中的催化循环动力学，发表于《Commun Chem》，2025年，第8卷。