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arXiv · 2009.12070

Conformation of ultra-long-chain fatty acid in lipid bilayer: Molecular dynamics study

Kazutomo Kawaguchi·Koh M. Nakagawa·Satoshi Nakagawa·Hideo Shindou·Hidemi Nagao·Hiroshi Noguchi
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Abstract

Ultra-long-chain fatty acids (ULCFAs) are biosynthesized in the restricted tissues such as retina, testis, and skin. The conformation of a single ULCFA, in which the sn-1 unsaturated chain has 32 carbons, in three types of tensionless phospholipid bilayers is studied by molecular dynamics simulations. It is found that the ultra-long tail of the ULCFA flips between two leaflets and fluctuates among an elongation into the opposite leaflet, lying between two leaflets, and turning back. As the number ratio of lipids in the opposite leaflet increases, the ratio of the elongated shape linearly decreases in all three cases. Thus, ULCFAs can sense the density differences between the two leaflets and respond to these changes.

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Kazutomo Kawaguchi, Koh M. Nakagawa, Satoshi Nakagawa, Hideo Shindou, Hidemi Nagao, Hiroshi Noguchi. 2020-09-25. Conformation of ultra-long-chain fatty acid in lipid bilayer: Molecular dynamics study. https://doi.org/10.1063/5.0026030

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