Abstract
(Figure Presented) Clarifying a conundrum: The question of whether Compound I or Compound 0 (Cpd I or Cpd 0) is the reactive oxidant in the sulfoxidation of thiafatty acids by P450 is addressed by theory, which demonstrates that Cpd I leads to an extremely fast process, while Cpd 0 is at least six orders of magnitude slower. Most likely, thiafatty acids promote Cpd I formation even in the T→A mutant of P450BM3.
| Original language | English |
|---|---|
| Pages (from-to) | 8168-8170 |
| Number of pages | 3 |
| Journal | Angewandte Chemie - International Edition |
| Volume | 46 |
| Issue number | 43 |
| DOIs | |
| State | Published - 2007 |
Keywords
- Cytochromes
- Density functional calculations
- Fatty acids
- Ferric hydroperoxide
- Oxidation