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Four-Scale Description of Membrane Sculpting by BAR Domains

机译:BAR域的膜雕刻四尺度描述

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摘要

BAR domains are proteins that sense and sculpt curved membranes in cells, furnishing a relatively well-studied example of mechanisms employed in cellular morphogenesis. We report a computational study of membrane bending by BAR domains at four levels of resolution, described by 1), all-atom molecular dynamics; 2), residue-based coarse-graining (resolving single amino acids and lipid molecules); 3), shape-based coarse-graining (resolving overall protein and membrane shapes); and 4), a continuum elastic membrane model. Membrane sculpting performed by BAR domains collectively is observed in agreement with experiments. Different arrangements of BAR domains on the membrane surface are found to lead to distinct membrane curvatures and bending dynamics.
机译:BAR结构域是感知并雕刻细胞中弯曲膜的蛋白质,提供了在细胞形态发生中机制的相对充分研究的例子。我们报告了在四个分辨率级别上通过BAR域进行膜弯曲的计算研究,该过程由1),全原子分子动力学描述; 2),基于残基的粗粒度(解析单个氨基酸和脂质分子); 3),基于形状的粗粒度(解析蛋白质和膜的整体形状); 4)连续弹性膜模型。与实验一致地观察到由BAR域共同执行的膜雕刻。发现BAR结构域在膜表面上的不同排列导致不同的膜曲率和弯曲动力学。

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