Structural origins of redox potentials in Fe-S proteins: electrostatic potentials of crystal structures

Biophysical Journal
P D SwartzToshiko Ichiye

Abstract

Redox potentials often differ dramatically for homologous proteins that have identical redox centers. For two types of iron-sulfur proteins, the rubredoxins and the high-potential iron-sulfur proteins (HiPIPs), no structural explanations for these differences have been found. We calculated the classical electrostatic potential at the redox site using static crystal structures of four rubredoxins and four HiPIPs to identify important structural determinants of their redox potentials. The contributions from just the backbone and polar side chains are shown to explain major features of the experimental redox potentials. For instance, in the rubredoxins, the presence of Val 44 versus Ala 44 causes a backbone shift that explains a approximately 50 mV lower redox potential in one of the four rubredoxins. This result is consistent with experimental redox potentials of five additional rubredoxins with known sequence. Also, we attribute the unusually lower redox potentials of two of the HiPIPs studied to a less positive electrostatic environment around their redox sites. Finally, molecular dynamics simulations of solvent around static rubredoxin crystal structures indicate that water alone is a major factor in dampening the contribution...Continue Reading

Citations

Dec 12, 2012·Journal of Biological Inorganic Chemistry : JBIC : a Publication of the Society of Biological Inorganic Chemistry·Bradley Scott Perrin, Toshiko Ichiye
Jun 8, 2002·Journal of Molecular Biology·Chetlen R CrossnoeKurt L Krause
Jun 19, 1998·Current Opinion in Structural Biology·A Warshel, A Papazyan
Jul 17, 1998·Current Opinion in Chemical Biology·M K Johnson
Jul 18, 2006·Nucleic Acids Research·Alexander A Kantardjiev, Boris P Atanasov
May 10, 2001·Protein Science : a Publication of the Protein Society·T MinC Kang
Mar 2, 2002·Journal of Bacteriology·Jan B van BeilenBernard Witholt
Oct 4, 2005·Proceedings of the National Academy of Sciences of the United States of America·I-Jin LinJohn L Markley
May 22, 2013·Journal of Biological Inorganic Chemistry : JBIC : a Publication of the Society of Biological Inorganic Chemistry·Bradley Scott Perrin, Toshiko Ichiye
Jul 17, 2010·Proteins·Bradley Scott Perrin, Toshiko Ichiye
Oct 20, 2006·Biochimica Et Biophysica Acta·Arieh WarshelWilliam W Parson
Apr 7, 2004·Journal of Biological Inorganic Chemistry : JBIC : a Publication of the Society of Biological Inorganic Chemistry·Il Yeong ParkChulHee Kang
Sep 1, 2013·ChemPlusChem·Maike BergelerMarkus Reiher
Nov 2, 2012·Journal of Computational Chemistry·Bradley Scott PerrinToshiko Ichiye
Feb 23, 2021·Bioorganic Chemistry·Tatsiana SushkoNatallia Strushkevich
Nov 1, 2001·Biochimica Et Biophysica Acta·I R VassilievJ H Golbeck
Jan 28, 2014·Journal of Chemical Information and Modeling·Alexandra T P Carvalho, Marcel Swart
Mar 8, 2011·Journal of Chemical Theory and Computation·Ana Patricia Gamiz-HernandezE W Knapp
Jun 13, 2002·Journal of the American Chemical Society·Michelle L Kennedy, Brian R Gibney
Oct 29, 2003·Biophysical Journal·Can E ErgenekanToshiko Ichiye

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