Fenton-Derived OH Radicals Enable the MPnS Enzyme to Convert 2-Hydroxyethylphosphonate to Methylphosphonate: Insights from Ab Initio QM/MM MD Simulations.
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DOI: 10.1021/jacs.9b02659
Abstract: The mechanism for dioxygen activation represents one of the core issues in metalloenzymes. In most cases, the activation of the O2 molecule requires additional electrons from an external reducant. However, nonheme hydroxyethylphosphonate dioxygenase (HEPD) and… read more here.
Keywords: hydroxyethylphosphonate; methylphosphonate; mpns enzyme; activation ... See more keywords