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A Single Site mutation (F429H) Converts the Enzyme CYP 2B4 into a Heme Oxygenase: A QM/MM Study
The intriguing deactivation of the cytochrome P450 (CYP) 2B4 enzyme induced by a mutation of a single residue, Phe429 to His, is explored by means of quantum mechanical/molecular mechanical (QM/MM) calculations of the O-OH bond activation of the (Fe(3+)OOH)(−) intermediate. It is found that the F429...
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| Main Authors: | , , , , , |
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| 格式: | Artigo |
| 語言: | Inglês |
| 出版: |
2012
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| 主題: | |
| 在線閱讀: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3326604/ https://ncbi.nlm.nih.gov/pubmed/22356576 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ja211905e |
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