Distribution and dynamics of quinones in the lipid bilayer mimicking the inner membrane of mitochondria

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Kaurola , P , Sharma , V , Vonk , A , Vattulainen , I & Rog , T 2016 , ' Distribution and dynamics of quinones in the lipid bilayer mimicking the inner membrane of mitochondria ' Biochimica et Biophysica Acta. Biomembranes , vol. 1858 , no. 9 , pp. 2116-2122 . DOI: 10.1016/j.bbamem.2016.06.016

Title: Distribution and dynamics of quinones in the lipid bilayer mimicking the inner membrane of mitochondria
Author: Kaurola, Petri; Sharma, Vivek; Vonk, Amanda; Vattulainen, Ilpo; Rog, Tomasz
Contributor: University of Helsinki, Materials Physics
University of Helsinki, Department of Physics
University of Helsinki, Department of Physics
Date: 2016-09
Number of pages: 7
Belongs to series: Biochimica et Biophysica Acta. Biomembranes
ISSN: 0005-2736
URI: http://hdl.handle.net/10138/173938
Abstract: Quinone and its analogues (Q) constitute an important class of compounds that perform key electron transfer reactions in oxidative- and photo-phosphorylation. In the inner membrane of mitochondria, ubiquinone molecules undergo continuous redox transitions enabling electron transfer between the respiratory complexes. In such a dynamic system undergoing continuous turnover for ATP synthesis, an uninterrupted supply of substrate molecules is absolutely necessary. In the current work, we have performed atomistic molecular dynamics simulations and free energy calculations to assess the structure, dynamics, and localization of quinone and its analogues in a lipid bilayer, whose composition mimics the one in the inner mitochondrial membrane. The results show that there is a strong tendency of both quinone and quinol molecules to localize in the vicinity of the lipids' acyl groups, right under the lipid head group region. Additionally, we observe a second location in the middle of the bilayer where quinone molecules tend to stabilize. Translocation of quinone through a lipid bilayer is very fast and occurs in 10-100 ns time scale, whereas the translocation of quinol is at least an order of magnitude slower. We suggest that this has important mechanistic implications given that the localization of Q ensures maximal occupancy of the Q-binding sites or Q-entry points in electron transport chain complexes, thereby maintaining an optimal turnover rate for ATP synthesis. (C) 2016 Elsevier B.V. All rights reserved.
Subject: Electron transport chain
Molecular dynamics simulations
Free energy calculations
Biological energy transduction
MOLECULAR-DYNAMICS
COENZYME-Q
CRYSTAL-STRUCTURE
FORCE-FIELD
UBIQUINONE
SIMULATIONS
BIOSYNTHESIS
CHOLESTEROL
PROTEINS
ELECTRON
1182 Biochemistry, cell and molecular biology
114 Physical sciences
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