Volume 232, 2021

Lipid distributions and transleaflet cholesterol migration near heterogeneous surfaces in asymmetric bilayers

Abstract

Specific and nonspecific protein–lipid interactions in cell membranes have important roles in an abundance of biological functions. We have used coarse-grained (CG) molecular dynamics (MD) simulations to assess lipid distributions and cholesterol flipping dynamics around surfaces in a model asymmetric plasma membrane containing one of six structurally distinct entities: aquaporin-1 (AQP1), the bacterial β-barrel outer membrane proteins OmpF and OmpX, the KcsA potassium channel, the WALP23 peptide and a carbon nanotube (CNT). Our findings revealed varied lipid partitioning and cholesterol flipping times around the different solutes and putative cholesterol binding sites in AQP1 and KcsA. The results suggest that protein–lipid interactions can be highly variable, and that surface-dependent lipid profiles are effectively manifested in CG simulations with the Martini force field.

Graphical abstract: Lipid distributions and transleaflet cholesterol migration near heterogeneous surfaces in asymmetric bilayers

Associated articles

Supplementary files

Article information

Article type
Paper
Submitted
04 جنؤری 2021
Accepted
21 اپریل 2021
First published
26 اپریل 2021

Faraday Discuss., 2021,232, 103-113

Lipid distributions and transleaflet cholesterol migration near heterogeneous surfaces in asymmetric bilayers

E. A. Cino, M. Borbuliak, S. Hu and D. P. Tieleman, Faraday Discuss., 2021, 232, 103 DOI: 10.1039/D1FD00003A

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