Fold versus sequence effects on the driving force for protein-mediated electron transfer.

Proteins
Bradley Scott Perrin, Toshiko Ichiye

Abstract

Electron transport chains composed of electron transfer reactions mainly between proteins provide fast efficient flow of energy in a variety of metabolic pathways. Reduction potentials are essential characteristics of the proteins because they determine the driving forces for the electron transfers. As both polar and charged groups from the backbone and side chains define the electrostatic environment, both the fold and the sequence will contribute. However, although the role of a specific sequence may be determined by experimental mutagenesis studies of reduction potentials, understanding the role of the fold by experiment is much more difficult. Here, continuum electrostatics and density functional theory calculations are used to analyze reduction potentials in [4Fe-4S] proteins. A key feature is that multiple homologous proteins in three different folds are compared: six high potential iron-sulfur proteins, four bacterial ferredoxins, and four nitrogenase iron proteins. Calculated absolute reduction potentials are shown to be in quantitative agreement with electrochemical reduction potentials. Calculations further demonstrate that the contribution of the backbone is larger than that of the side chains and is consistent for h...Continue Reading

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Citations

Dec 12, 2012·Journal of Biological Inorganic Chemistry : JBIC : a Publication of the Society of Biological Inorganic Chemistry·Bradley Scott Perrin, Toshiko Ichiye
Aug 14, 2012·The Journal of Physical Chemistry. a·Yan LuoToshiko Ichiye
Jul 25, 2014·PLoS Computational Biology·Benjamin T MillerH Lee Woodcock
Jul 2, 2014·Proceedings of the National Academy of Sciences of the United States of America·Michael A FunkCatherine L Drennan
Apr 24, 2013·Biochemistry·B Scott Perrin, Toshiko Ichiye
Aug 15, 2015·Protein Science : a Publication of the Protein Society·Ming-Liang TanToshiko Ichiye
Nov 2, 2012·Journal of Computational Chemistry·Bradley Scott PerrinToshiko Ichiye
May 22, 2013·Journal of Biological Inorganic Chemistry : JBIC : a Publication of the Society of Biological Inorganic Chemistry·Bradley Scott Perrin, Toshiko Ichiye
Jul 25, 2019·Chemistry : a European Journal·Nicholas M RandellMurielle Chavarot-Kerlidou
Jan 31, 2019·Journal of Computational Chemistry·Kelly N TranToshiko Ichiye
Sep 1, 2013·ChemPlusChem·Maike BergelerMarkus Reiher

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