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S K-edge XAS and DFT Calculations on Cytochrome P450: Covalent and Ionic Contributions to the Cysteine-Fe Bond and Their Contribution to Reactivity

Experimental covalencies of the Fe-S bond for the resting low-spin and substrate-bound high-spin active site of cytochrome P450 are reported. DFT calculations on the active site indicate that one H-bonding interaction from the protein backbone is needed to reproduce the experimental values. The H-bo...

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Hlavní autoři: Dey, Abhishek, Jiang, Yonging, de Montellano, Paul Ortiz, Hodgson, Keith O., Hedman, Britt, Solomon, Edward I.
Médium: Artigo
Jazyk:Inglês
Vydáno: 2009
Témata:
On-line přístup:https://ncbi.nlm.nih.gov/pmc/articles/PMC2734335/
https://ncbi.nlm.nih.gov/pubmed/19438234
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ja901868q
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