Simulations suggest a scaffolding mechanism of membrane deformation by the caveolin 8S complex

Simulations suggest a scaffolding mechanism of membrane deformation by the caveolin 8S complex
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模拟表明小窝蛋白 8S 复合体膜变形的支架机制

DOI:
10.1016/j.bpj.2023.09.008
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发表时间:
2023
影响因子:
3.4
通讯作者:
Lazaridis, Themis
Lazaridis, Themis
中科院分区:
生物学3区
文献类型:
--
作者:
Vasquez Rodriguez, Sayyid Yobhel;Lazaridis, Themis

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窖蛋白形成各种大小的复合物,使膜变形成多面体形状。然而,最近的8S复合物的结构是盘状的,具有平坦的膜结合表面。一个平坦的复合体如何将膜变形为非平面结构?分子动力学模拟显示,8S复合物迅速采取吸盘的形式。对隐含膜囊泡的模拟确定,当E140被质子化时,结合更强。在这种情况下,复合物更强烈地结合到5和10 nm半径的囊泡。凹状的膜结合表面很容易通过直接支架来解释小窝蛋白的膜变形能力。我们建议,8S复合体位于的顶点的穴状多面体,而不是在中心的多面体面。
Caveolins form complexes of various sizes that deform membranes into polyhedral shapes. However, the recent structure of the 8S complex was disk-like with a flat membrane-binding surface. How can a flat complex deform membranes into nonplanar structures? Molecular dynamics simulations revealed that the 8S complex rapidly takes the form of a suction cup. Simulations on implicit membrane vesicles determined that binding is stronger when E140 gets protonated. In that case, the complex binds much more strongly to 5- and 10-nm-radius vesicles. A concave membrane-binding surface readily explains the membrane-deforming ability of caveolins by direct scaffolding. We propose that the 8S complex sits at the vertices of the caveolar polyhedra, rather than at the center of the polyhedral faces.
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