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Comparison between Actin Filament Models:Coarse-Graining Reveals Essential Differences

机译:肌动蛋白丝模型之间的比较:粗粒度揭示了本质差异

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The interconversion of actin between monomeric and polymeric forms is a fundamental process in cell biology that is incompletely understood, in part because there is no high-resolution structure for filamentous actin. Several models have been proposed recently; identifying structural and dynamic differences between them is an essential step toward understanding actin dynamics. We compare three of these models, using coarse-grained analysis of molecular dynamics simulations to analyze the differences between them and evaluate their relative stability. Based on this analysis, we identify key motions that may be associated with polymerization,including a potential energetic barrier in the process.We also find that actin subunits are polymorphic;during simulations they assume a range of configurations remarkably similar to those seen in recent cryoEM images.
机译:肌动蛋白在单体形式和聚合形式之间的相互转化是细胞生物学中的一个基本过程,目前尚不完全了解,部分原因是丝状肌动蛋白没有高分辨率结构。最近提出了几种模型。识别它们之间的结构和动力学差异是理解肌动蛋白动力学的重要步骤。我们使用分子动力学模拟的粗粒度分析比较了这三个模型,以分析它们之间的差异并评估它们的相对稳定性。在此分析的基础上,我们确定了可能与聚合反应相关的关键运动,包括该过程中潜在的能量屏障;还发现肌动蛋白亚基是多态的;在模拟过程中,它们假定一系列构型与最近的cryoEM极为相似图片。

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