How Does Ethene Inactivate Cytochrome P450 En Route to Its Epoxidation? A Density Functional Study

✍ Scribed by Sam P. de Visser; François Ogliaro; Sason Shaik

• Publisher: John Wiley and Sons
• Year: 2001
• Tongue: English
• Weight: 165 KB
• Volume: 40
• Category: Article
• ISSN: 0044-8249
• DOI: 10.1002/1521-3773(20010803)40:15<2871::aid-anie2871>3.0.co;2-r

✦ Synopsis

The suicidal complex 2, which inactivates cytochrome P450 during olefin epoxidation, was shown by density functional calculations to be formed from the same high-spin intermediate ( 1-III) that leads to stereochemical scrambling.