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Curvature sensing by cardiolipin in simulated buckled membranes
Stockholm Univ, Dept Biochem & Biophys, Stockholm, Sweden;Stockholm Univ, Dept Mat & Environm Chem, Stockholm, Sweden.ORCID iD: 0000-0003-4114-8768
Uppsala University, Disciplinary Domain of Science and Technology, Biology, Department of Cell and Molecular Biology, Molecular Systems Biology. Scania CV AB, Sodertalje, Sweden.ORCID iD: 0000-0003-4200-0191
Stockholm Univ, Dept Mat & Environm Chem, Stockholm, Sweden.ORCID iD: 0000-0002-9390-5719
Stockholm Univ, Dept Mat & Environm Chem, Stockholm, Sweden.ORCID iD: 0000-0002-5496-4695
2019 (English)In: Soft Matter, ISSN 1744-683X, E-ISSN 1744-6848, Vol. 15, no 4, p. 792-802Article in journal (Refereed) Published
Abstract [en]

Cardiolipin is a non-bilayer phospholipid with a unique dimeric structure. It localizes to negative curvature regions in bacteria and is believed to stabilize respiratory chain complexes in the highly curved mitochondrial membrane. Cardiolipin's localization mechanism remains unresolved, because important aspects such as the structural basis and strength for lipid curvature preferences are difficult to determine, partly due to the lack of efficient simulation methods. Here, we report a computational approach to study curvature preferences of cardiolipin by simulated membrane buckling and quantitative modeling. We combine coarse-grained molecular dynamics with simulated buckling to determine the curvature preferences in three-component bilayer membranes with varying concentrations of cardiolipin, and extract curvature-dependent concentrations and lipid acyl chain order parameter profiles. Cardiolipin shows a strong preference for negative curvatures, with a highly asymmetric chain order parameter profile. The concentration profiles are consistent with an elastic model for lipid curvature sensing that relates lipid segregation to local curvature via the material constants of the bilayers. These computations constitute new steps to unravel the molecular mechanism by which cardiolipin senses curvature in lipid membranes, and the method can be generalized to other lipids and membrane components as well.

Place, publisher, year, edition, pages
2019. Vol. 15, no 4, p. 792-802
National Category
Physical Chemistry
Identifiers
URN: urn:nbn:se:uu:diva-377348DOI: 10.1039/c8sm02133cISI: 000457329700020PubMedID: 30644502OAI: oai:DiVA.org:uu-377348DiVA, id: diva2:1291401
Funder
Swedish Research CouncilEU, Horizon 2020Swedish Foundation for Strategic Research Available from: 2019-02-25 Created: 2019-02-25 Last updated: 2019-02-25Bibliographically approved

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