Insights into the effect of distal histidine and water hydrogen bonding on NO ligation to ferrous and ferric heme: a DFT study

Author:

Fateminasab Fatemeh1,Lande Aurelien de la2ORCID,Omidyan Reza1ORCID

Affiliation:

1. Department of Chemistry, University of Isfahan, 81746-73441 Isfahan, Iran

2. Université Paris-Saclay, CNRS, Institut de Chimie Physique, UMR8000, 91405, Orsay, France

Abstract

The effect of distal histidine on ligation of NO to ferrous and ferric-heme, has been investigated with the high-level density functional theoretical (DFT) method.

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

Reference55 articles.

1. Heme Protein Assemblies

2. ELECTRON TRANSFER IN PROTEINS

3. H. B.Dunford , Peroxidases and catalases: biochemistry, biophysics, biotechnology and physiology , John Wiley & Sons , 2010

4. Proteins of iron metabolism

5. S.Yoshikawa , in Handbook of Copper Pharmacology and Toxicology , Springer , 2002 , pp. 131–152

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