Which oxidant is really responsible for sulfur oxidation by cytochrome P450?

Chunsen Li*, Lixian Zhang, Chi Zhang, Hajime Hirao, Wei Wu, Sason Shaik

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

68 Scopus citations

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 languageEnglish
Pages (from-to)8168-8170
Number of pages3
JournalAngewandte Chemie - International Edition
Volume46
Issue number43
DOIs
StatePublished - 2007

Keywords

  • Cytochromes
  • Density functional calculations
  • Fatty acids
  • Ferric hydroperoxide
  • Oxidation

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