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DFT analysis of axial and equatorial effects on heme-CO vibrational modes: applications to CooA and H-NOX heme sensor proteins

Determinants of the Fe-CO and C-O stretching frequencies in (imidazole) heme-CO adducts have been investigated via Density Functional Theory (DFT) analysis, in connection with puzzling characteristics of the heme sensor protein CooA, and of the H-NOX (Heme-Nitric Oxide and/or OXygen binding) family...

Ausführliche Beschreibung

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Bibliographische Detailangaben
Hauptverfasser: Xu, Changliang, Ibrahim, Mohammed, Spiro, Thomas G.
Format: Artigo
Sprache:Inglês
Veröffentlicht: 2008
Schlagworte:
Online Zugang:https://ncbi.nlm.nih.gov/pmc/articles/PMC2754214/
https://ncbi.nlm.nih.gov/pubmed/18217776
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/bi702254y
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