Which oxidant is really responsible for sulfur oxidation by cytochrome p450?

被引:66
作者
Li, Chunsen [1 ,2 ]
Zhang, Lixian [1 ,2 ]
Zhang, Chi [1 ,2 ]
Hirao, Hajime [1 ,2 ]
Wu, Wei [1 ,2 ]
Shaik, Sason [1 ,2 ]
机构
[1] Xiamen Univ, Ctr Theoret Chem, Dept Chem, State Key Lab Phys Chem Solid Surfaces, Xiamen 361005, Peoples R China
[2] Hebrew Univ Jerusalem, Lise Meitner Minerva Ctr Computat Quantum Chem, Dept Organ Chem, IL-91904 Jerusalem, Israel
关键词
D O I
10.1002/anie.200702867
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
(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. © 2007 Wiley-VCH Verlag GmbH & Co. KGaA.
引用
收藏
页码:8168 / 8170
页数:3
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