How nanoscale protein interactions determine the mesoscale dynamic organisation of bacterial outer membrane proteins.
How nanoscale protein interactions determine the mesoscale dynamic organisation of bacterial outer membrane proteins.
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DOI：
10.1038/s41467-018-05255-9
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发表时间：
2018-07-20
影响因子：
16.6
通讯作者：
Sansom MSP
中科院分区：
文献类型：
--
作者：
Chavent M;Duncan AL;Rassam P;Birkholz O;Hélie J;Reddy T;Beliaev D;Hambly B;Piehler J;Kleanthous C;Sansom MSP
膜的时空组织通常以形成大的蛋白质簇为特征。在大肠杆菌中，外膜蛋白（OMP）的聚集导致OMP岛的形成，而OMP岛的形成支撑了OMP的周转，并推动了整个细胞包膜的组织。为了了解它们的起源和外膜行为，对OMP岛形成的建模一直受到在有意义的时间尺度上模拟大量OMP的固有困难的困扰。在这里，我们通过在粗粒度分子动力学模拟中训练包含数千个omp的中尺度模型来克服这些问题。我们实现了模拟的时间尺度，允许直接比较实验数据的OMP行为。我们发现，OMP之间的特定相互作用表面是OMP簇形成的关键，OMP簇呈现出一种移动屏障网，将新插入的蛋白质限制在岛屿内，并且中尺度模拟重现了OMP的受限扩散特征。在大肠杆菌中，外膜蛋白（OMP）聚集并形成岛屿，但这些簇的起源和行为仍然知之甚少。本文作者使用粗粒度分子动力学模拟，并表明他们的中尺度模拟再现了OMPs的受限扩散特征。
The spatiotemporal organisation of membranes is often characterised by the formation of large protein clusters. In Escherichia coli, outer membrane protein (OMP) clustering leads to OMP islands, the formation of which underpins OMP turnover and drives organisation across the cell envelope. Modelling how OMP islands form in order to understand their origin and outer membrane behaviour has been confounded by the inherent difficulties of simulating large numbers of OMPs over meaningful timescales. Here, we overcome these problems by training a mesoscale model incorporating thousands of OMPs on coarse-grained molecular dynamics simulations. We achieve simulations over timescales that allow direct comparison to experimental data of OMP behaviour. We show that specific interaction surfaces between OMPs are key to the formation of OMP clusters, that OMP clusters present a mesh of moving barriers that confine newly inserted proteins within islands, and that mesoscale simulations recapitulate the restricted diffusion characteristics of OMPs. In Escherichia coli, outer membrane protein (OMP) cluster and form islands, but the origin and behaviour of those clusters remains poorly understood. Here authors use coarse grained molecular dynamics simulation and show that their mesoscale simulations recapitulate the restricted diffusion characteristics of OMPs.
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影响因子：
5.5
作者：
Hess, Berk;Kutzner, Carsten;Lindahl, Erik
通讯作者：
Lindahl, Erik
DOI：
10.1016/j.bbamem.2016.02.037
发表时间：
2016-10
期刊：
Biochimica et biophysica acta
影响因子：
--
作者：
Hedger G;Sansom MSP
通讯作者：
Sansom MSP
影响因子：
3
作者：
Dosset P;Rassam P;Fernandez L;Espenel C;Rubinstein E;Margeat E;Milhiet PE
通讯作者：
Milhiet PE
影响因子：
6.8
作者：
Chavent M;Duncan AL;Sansom MS
通讯作者：
Sansom MS
影响因子：
3.3
作者：
Fujiwara TK;Iwasawa K;Kalay Z;Tsunoyama TA;Watanabe Y;Umemura YM;Murakoshi H;Suzuki KG;Nemoto YL;Morone N;Kusumi A
通讯作者：
Kusumi A