Ferric Superoxide and Ferric Hydroxide Are Used in the Catalytic Mechanism of Hydroxyethylphosphonate Dioxygenase: A Density Functional Theory Investigation.

Hydroxyethylphosphonate dioxygenase (HEPD) is a mononuclear nonheme iron enzyme that utilizes an O molecule to cleave a C—C bond in 2-hydroxyethylphosphonate and produce hydroxymethylphosphonate (HMP) and formic acid. Density functional theory calculations were performed on an enzyme active-site mod...

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Publicado en:Journal of the American Chemical Society Vol. 132; no. 50; pp. 17901 - 17910
Autores principales: Hirao, Hajime, Morokuma, Keiji
Formato: Artículo
Publicado: American Chemical Society 12/22/2010
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Acceso en línea:Ver este registro en EBSCOhost