A Brownian dynamics study: the effect of a membrane environment on an electron transfer system

Biophysical Journal
Dagmar Flöck, Volkhard Helms

Abstract

During the past few years, three-dimensional crystal structures of many of the important integral membrane proteins responsible for the bioenergetic processes of photosynthesis and respiration have been determined. Moreover, a few crystal structures of protein-protein complexes have become available that characterize the interaction between those membrane proteins and the electron carrier protein cytochrome c. Here, we address the association kinetics for binding of cytochrome c to cytochrome c oxidase (COX) from Paracoccus denitrificans by Brownian dynamics simulations. The effects of ionic strength and protein mutations were studied for two different cytochrome c species: the positively charged, dipolar horse heart cytochrome c and the negatively charged physiological electron transfer partner cytochrome c(552). We studied association toward "naked" COX and toward membrane-embedded COX where the membrane is represented as an uncharged DPPC bilayer modeled in atomistic detail. For the nonnatural association toward "naked" COX, the association rates are >100 times larger for horse heart cytochrome c than for cytochrome c(552). Interestingly, the presence of the lipid bilayer leads to a dramatic decrease of the association rate ...Continue Reading

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Citations

May 4, 2005·Journal of Molecular Modeling·V RenugopalakrishnanChandra Verma
Apr 20, 2005·Current Opinion in Structural Biology·Valentina Tozzini
Jul 31, 2012·PLoS Computational Biology·Craig N Lumb, Mark S P Sansom
Dec 20, 2005·Biophysical Journal·Alexander SpaarVolkhard Helms
Feb 26, 2014·Journal of Experimental Botany·Henrique C DePaoliXiaohan Yang
Sep 24, 2016·The Journal of Biological Chemistry·James B FieldsDouglas J Tobias
Dec 22, 2020·Physical Chemistry Chemical Physics : PCCP·Manvir KaurTejwant Singh Kang
Jul 1, 2005·Journal of Chemical Theory and Computation·Alexander Spaar, Volkhard Helms
Jul 9, 2021·Photosynthesis Research·Sajad HussainWeiguo Liu

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