Membrane-protein interactions in a generic coarse-grained model for lipid bilayers.
Membrane-protein interactions in a generic coarse-grained model for lipid bilayers.
复制标题
DOI：
10.1529/biophysj.108.138677
复制
发表时间：
2008-09
影响因子：
3.4
通讯作者：
B. West;F. Brown;F. Schmid
中科院分区：
文献类型：
--
作者：
B. West;F. Brown;F. Schmid
我们研究膜-蛋白质相互作用和膜介导的蛋白质-蛋白质相互作用的一个通用的粗粒度模型与圆柱形疏水夹杂物的脂质双层的Monte Carlo模拟。疏水力的强度和蛋白质的疏水厚度系统地变化。分析预测的两个流行的分析理论：Landau-de Gennes理论和弹性理论的结果进行了比较。弹性理论提供了一个很好的描述的波动谱的纯膜，并成功地再现了膜周围的单个蛋白质的变形配置文件。然而，它的预测蛋白质之间的平均力的潜力是不兼容的模拟数据为大的距离。模拟结果表明，脂质介导的相互作用是由五个竞争因素：直接相互作用;脂质诱导的消耗相互作用;脂质桥接;脂质包装;和一个平稳的长程贡献。导致疏水错配相互作用的机制进行了批判性分析。
We study membrane-protein interactions and membrane-mediated protein-protein interactions by Monte Carlo simulations of a generic coarse-grained model for lipid bilayers with cylindrical hydrophobic inclusions. The strength of the hydrophobic force and the hydrophobic thickness of the proteins are systematically varied. The results are compared with analytical predictions of two popular analytical theories: The Landau-de Gennes theory and the elastic theory. The elastic theory provides an excellent description of the fluctuation spectra of pure membranes and successfully reproduces the deformation profiles of membranes around single proteins. However, its prediction for the potential of mean force between proteins is not compatible with the simulation data for large distances. The simulations show that the lipid-mediated interactions are governed by five competing factors: direct interactions; lipid-induced depletion interactions; lipid bridging; lipid packing; and a smooth long-range contribution. The mechanisms leading to hydrophobic mismatch interactions are critically analyzed.