Nitrite and nitrate reduction by molybdenum centers of the nitrate reductase type: Computational predictions on the catalytic mechanism

► DFT results are shown on nitrate and nitrite reduction in nitrite reductases. ► Nitrate is thermodynamically the preferred substrate. ► Nitrite and nitrate are both easily reduced to nitrite and NO, respectively. ► These reductions require a Mo(IV) state. ► In the case of the nitrite, linkage isom...

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Veröffentlicht in:	Nitric oxide 2012, Vol.26 (1), p.27-31
Hauptverfasser:	Silaghi-Dumitrescu, Radu, Mich, Mihaela, Matyas, Csongor, Cooper, Chris E.
Format:	Artikel
Sprache:	eng
Schlagworte:	Binding Sites Catalytic Domain DFT Models, Chemical Models, Molecular Molybdenum Molybdenum - chemistry Nitrate reductase Nitrate Reductases - chemistry Nitrate Reductases - metabolism Nitrates - chemistry Nitrates - metabolism Nitric Oxide - chemistry Nitric Oxide - metabolism Nitric oxide synthesis Nitrite reductase Nitrites - chemistry Nitrites - metabolism Nitrogen - chemistry
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