Strong Electron Correlation in Nitrogenase Cofactor, FeMoco

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Comparative electronic structures of nitrogenase FeMoco and FeVco

The electronic structures of the nitrogenase active sites, FeMoco and FeVco, have been investigated by a parallel study of the holoenzymes with synthetic cubane cluster models. Using high-resolution X-ray spectroscopies coupled with density functional theory calculations, key diff erences between FeMoco and FeVco have been identifi ed, rationalizing the isozymes’ diff erential affi nity for var...

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Nitrogenase FeMoco investigated by spatially resolved anomalous dispersion refinement.

The [Mo:7Fe:9S:C] iron-molybdenum cofactor (FeMoco) of nitrogenase is the largest known metal cluster and catalyses the 6-electron reduction of dinitrogen to ammonium in biological nitrogen fixation. Only recently its atomic structure was clarified, while its reactivity and electronic structure remain under debate. Here we show that for its resting S=3/2 state the common iron oxidation state as...

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Nitrogenase from nifV mutants of Klebsiella pneumoniae contains an altered form of the iron-molybdenum cofactor.

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ژورنال

عنوان ژورنال: The Journal of Physical Chemistry A

سال: 2018

ISSN: 1089-5639,1520-5215

DOI: 10.1021/acs.jpca.8b00941