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PIP2 在 MIM I-BAR 膜结合中的作用:分子动力学模拟的见解。

Roles of PIP2 in the membrane binding of MIM I-BAR: insights from molecular dynamics simulations.

机构信息

Beijing Advanced Innovation Center for Biomedical Engineering, School of Biological Science and Medical Engineering, Beihang University, China.

State Key Laboratory of Bioelectronics, Jiangsu Key Laboratory for Biomaterials and Devices, School of Biological Sciences & Medical Engineering, Southeast University, Nanjing, China.

出版信息

FEBS Lett. 2018 Aug;592(15):2533-2542. doi: 10.1002/1873-3468.13186. Epub 2018 Jul 26.

DOI:10.1002/1873-3468.13186
PMID:29995324
Abstract

In order to probe the roles of PIP2 in the interactions between MIM I-BAR and model membranes, we performed a series of 10 μs-scale coarse-grained molecular dynamics simulations. Our results indicate that PIP2 plays predominant roles in the membrane binding of MIM I-BAR in a concentration-dependent manner and via electrostatic interactions. Besides, we find that the occurrence of the membrane curvature may induce the re-distribution of lipids in the membrane and result in the local enrichment of PIP2 at negatively curved membrane areas. Combining these roles of PIP2 in the membrane binding of MIM I-BAR helps explain how MIM I-BAR senses negative curvature and, thus, contributes to maintaining membrane protrusions.

摘要

为了探究 PIP2 在 MIM I-BAR 与模型膜相互作用中的作用,我们进行了一系列 10μs 规模的粗粒化分子动力学模拟。我们的结果表明,PIP2 以浓度依赖的方式通过静电相互作用在 MIM I-BAR 的膜结合中起主要作用。此外,我们发现膜曲率的发生可能诱导膜中脂质的重新分布,并导致 PIP2 在负曲率膜区域局部富集。PIP2 在 MIM I-BAR 膜结合中的这些作用有助于解释 MIM I-BAR 如何感知负曲率,从而有助于维持膜突起。

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