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

Tutkimustuotosvertaisarvioitu

Standard

Distribution and dynamics of quinones in the lipid bilayer mimicking the inner membrane of mitochondria. / Kaurola, Petri; Sharma, Vivek; Vonk, Amanda; Vattulainen, Ilpo; Róg, Tomasz.

julkaisussa: Biochimica et Biophysica Acta: Biomembranes, Vuosikerta 1858, Nro 9, 01.09.2016, s. 2116-2122.

Tutkimustuotosvertaisarvioitu

Harvard

Kaurola, P, Sharma, V, Vonk, A, Vattulainen, I & Róg, T 2016, 'Distribution and dynamics of quinones in the lipid bilayer mimicking the inner membrane of mitochondria', Biochimica et Biophysica Acta: Biomembranes, Vuosikerta. 1858, Nro 9, Sivut 2116-2122. https://doi.org/10.1016/j.bbamem.2016.06.016

APA

Kaurola, P., Sharma, V., Vonk, A., Vattulainen, I., & Róg, T. (2016). Distribution and dynamics of quinones in the lipid bilayer mimicking the inner membrane of mitochondria. Biochimica et Biophysica Acta: Biomembranes, 1858(9), 2116-2122. https://doi.org/10.1016/j.bbamem.2016.06.016

Vancouver

Kaurola P, Sharma V, Vonk A, Vattulainen I, Róg T. Distribution and dynamics of quinones in the lipid bilayer mimicking the inner membrane of mitochondria. Biochimica et Biophysica Acta: Biomembranes. 2016 syys 1;1858(9):2116-2122. https://doi.org/10.1016/j.bbamem.2016.06.016

Author

Kaurola, Petri ; Sharma, Vivek ; Vonk, Amanda ; Vattulainen, Ilpo ; Róg, Tomasz. / Distribution and dynamics of quinones in the lipid bilayer mimicking the inner membrane of mitochondria. Julkaisussa: Biochimica et Biophysica Acta: Biomembranes. 2016 ; Vuosikerta 1858, Nro 9. Sivut 2116-2122.

Bibtex - Lataa

@article{45a6d284c03d412bad543b6c12e1843e,
title = "Distribution and dynamics of quinones in the lipid bilayer mimicking the inner membrane of mitochondria",
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.",
keywords = "Biological energy transduction, Electron transport chain, Free energy calculations, Molecular dynamics simulations",
author = "Petri Kaurola and Vivek Sharma and Amanda Vonk and Ilpo Vattulainen and Tomasz R{\'o}g",
note = "INT=fys,{"}Kaurola, Petri{"} INT=fys,{"}Vonk, Amanda{"}",
year = "2016",
month = "9",
day = "1",
doi = "10.1016/j.bbamem.2016.06.016",
language = "English",
volume = "1858",
pages = "2116--2122",
journal = "Biochimica et Biophysica Acta: Biomembranes",
issn = "0005-2736",
publisher = "Elsevier",
number = "9",

}

RIS (suitable for import to EndNote) - Lataa

TY - JOUR

T1 - Distribution and dynamics of quinones in the lipid bilayer mimicking the inner membrane of mitochondria

AU - Kaurola, Petri

AU - Sharma, Vivek

AU - Vonk, Amanda

AU - Vattulainen, Ilpo

AU - Róg, Tomasz

N1 - INT=fys,"Kaurola, Petri" INT=fys,"Vonk, Amanda"

PY - 2016/9/1

Y1 - 2016/9/1

N2 - 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.

AB - 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.

KW - Biological energy transduction

KW - Electron transport chain

KW - Free energy calculations

KW - Molecular dynamics simulations

U2 - 10.1016/j.bbamem.2016.06.016

DO - 10.1016/j.bbamem.2016.06.016

M3 - Article

VL - 1858

SP - 2116

EP - 2122

JO - Biochimica et Biophysica Acta: Biomembranes

JF - Biochimica et Biophysica Acta: Biomembranes

SN - 0005-2736

IS - 9

ER -