Encapsulated membrane proteins: A simplified system for molecular simulation.
Encapsulated membrane proteins: A simplified system for molecular simulation.
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DOI：
10.1016/j.bbamem.2016.02.039
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发表时间：
2016-03
期刊：
影响因子：
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通讯作者：
Sarah C. Lee;S. Khalid;N. Pollock;Timothy J. Knowles;K. Edler;A. Rothnie;Owen R T Thomas;T. Dafforn
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文献类型：
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作者：
Sarah C. Lee;S. Khalid;N. Pollock;Timothy J. Knowles;K. Edler;A. Rothnie;Owen R T Thomas;T. Dafforn
过去 50 年来，我们对原子水平上生物分子相互作用的理解取得了长足的进步。这反过来又使得在更大尺度上采用完整原子建模的分子模拟方法得以发展。然而，仍然存在一些具有挑战性的领域，其中要么缺乏原子分辨率结构，要么模拟系统本质上很复杂。同时存在这两个挑战的领域是含有膜蛋白的膜。在这篇综述中，我们分析了一种新的膜蛋白研究实用方法，该方法为高分辨率结构提供了潜在的新途径，并为简化模拟提供了可能性。这些新方法共同认识到，膜蛋白和脂质双层之间相互作用的保存对于维持结构和功能通常至关重要。新方法通过产生包含双层和所选蛋白质的纳米级盘状颗粒来保留这些相互作用。目前该领域有两种领先的方法：依靠肽来稳定椎间盘的 MSP 系统，以及使用两亲性苯乙烯马来酸共聚物的 SMALP。这两种方法都极大地促进了蛋白质的生产，因此有可能加速原子分辨率结构的测定，并为膜蛋白质动力学的模拟提供简化的格式。本文是由 Ilpo Vattulainen 和 Tomasz Róg 编辑的题为“生物模拟”特刊的一部分。
Over the past 50 years there has been considerable progress in our understanding of biomolecular interactions at an atomic level. This in turn has allowed molecular simulation methods employing full atomistic modelling at ever larger scales to develop. However, some challenging areas still remain where there is either a lack of atomic resolution structures or where the simulation system is inherently complex.An area where both challenges are present is that of membranes containing membrane proteins. In this review we analyse a new practical approach to membrane protein study that offers a potential new route to high resolution structures and the possibility to simplify simulations.These new approaches collectively recognise that preservation of the interaction between the membrane protein and the lipid bilayer is often essential to maintain structure and function. The new methods preserve these interactions by producing nano-scale disc shaped particles that include bilayer and the chosen protein. Currently two approaches lead in this area: the MSP system that relies on peptides to stabilise the discs, and SMALPs where an amphipathic styrene maleic acid copolymer is used. Both methods greatly enable protein production and hence have the potential to accelerate atomic resolution structure determination as well as providing a simplified format for simulations of membrane protein dynamics. This article is part of a Special Issue entitled: Biosimulations edited by Ilpo Vattulainen and Tomasz Róg.