Sulfur K-Edge XAS and DFT Calculations on Nitrile Hydratase: Geometric and Electronic Structure of the Non-heme Iron Active Site

The geometric and electronic structure of the active site of the non-heme iron enzyme nitrile hydratase (NHase) is studied using sulfur K-edge XAS and DFT calculations. Using thiolate (RS(−))-, sulfenate (RSO(−))-, and sulfinate (RSO(2)(−))-ligated model complexes to provide benchmark spectral param...

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Publicado en:J Am Chem Soc
Main Authors: Dey, Abhishek, Chow, Marina, Taniguchi, Kayoko, Lugo-Mas, Priscilla, Davin, Steven, Maeda, Mizuo, Kovacs, Julie A., Odaka, Masafumi, Hodgson, Keith O., Hedman, Britt, Solomon, Edward I.
Formato: Artigo
Idioma:Inglês
Publicado: 2006
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Article
Acceso en liña:https://ncbi.nlm.nih.gov/pmc/articles/PMC4485618/
https://ncbi.nlm.nih.gov/pubmed/16402841
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ja0549695
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