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Communication
How Does Ethene Inactivate Cytochrome P450 En Route to Its Epoxidation? A Density Functional Study
Article first published online: 2 AUG 2001
DOI: 10.1002/1521-3773(20010803)40:15<2871::AID-ANIE2871>3.0.CO;2-R
© 2001 WILEY-VCH Verlag GmbH, Weinheim, Fed. Rep. of Germany
40:15<>1.0.CO;2-I/asset/cover.gif?v=1&s=0b065b6935e70821e545320d1279e624835d2879 "Angewandte Chemie International Edition")
Additional Information
How to Cite
de Visser, S. P., Ogliaro, F. and Shaik, S. (2001), How Does Ethene Inactivate Cytochrome P450 En Route to Its Epoxidation? A Density Functional Study . Angewandte Chemie International Edition, 40: 2871–2874. doi: 10.1002/1521-3773(20010803)40:15<2871::AID-ANIE2871>3.0.CO;2-R
Publication History
- Issue published online: 2 AUG 2001
- Article first published online: 2 AUG 2001
- Manuscript Received: 15 NOV 2000
- Abstract
- Article
- References
- Cited By
Keywords:
- cytochromes;
- density functional calculations;
- electronic structure;
- enzymes
Graphical Abstract
40:15<2871::AID-ANIE2871>3.0.CO;2-R/asset/image_m/mcontent.gif?v=1&s=eb4019c3a1deb9cbbf497560f47d11b2349b22c1 "Thumbnail image of graphical abstract")
The suicidal complex 42, which inactivates cytochrome P450 during olefin epoxidation, was shown by density functional calculations to be formed from the same high-spin intermediate (41-III) that leads to stereochemical scrambling.