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arXiv 2308.04698cond-mat.softphysics.bio-ph
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集体形变模式促进类蛋白颗粒的纤维状自组装

Collective deformation modes promote fibrous self-assembly in protein-like particles

Hugo Le Roy, M. Mert Terzi, Martin lenz

AI总结:

该研究通过解析与数值模拟二维可形变颗粒,揭示集体形变模式、柔软内部模式及不可压缩性如何驱动大型各向异性纤维状聚集体形成。

摘要:

颗粒自组装成有组织结构是生命体的关键特征,也是一项重大工程挑战。虽然自组装可通过完全匹配、类似拼图块的颗粒结合来进行,但许多其他情形涉及配合不佳的颗粒,它们必须发生形变才能结合在一起。这包括一些病理性蛋白,已知它们具有形成纤维状聚集体的倾向。尽管存在这一观察,颗粒个体特征与聚集体整体结构之间的一般关系仍不清楚。为阐明这一关系,我们通过解析和数值方法研究二维、可形变且配合不佳的颗粒的自组装。我们发现,中等黏性的颗粒倾向于形成平衡态自限制聚集体,其尺寸由与可延伸至许多颗粒的集体形变相关的弹性边界层决定。因此,具有柔软内部形变模式的颗粒会产生大型聚集体。此外,当颗粒不可压缩时,其聚集体倾向于呈各向异性和纤维状。我们的结果在一个具有随机选取弹性属性的更复杂颗粒模型中仍然成立。这表明,别构效应和不可压缩性等通用蛋白特征可能促进蛋白聚集过程中纤维的形成,并为人工自组装结构提供了设计原则。

英文摘要:

The self-assembly of particles into organized structures is a key feature of living organisms and a major engineering challenge. While it may proceed through the binding of perfectly matched, puzzle-pieces-like particles, many other instances involve ill-fitting particles that must deform to fit together. These include some pathological proteins, which have a known propensity to form fibrous aggregates. Despite this observation, the general relationship between the individual characteristics of the particles and the overall structure of the aggregate is not understood. To elucidate it, we analytically and numerically study the self-assembly of two-dimensional, deformable ill-fitting particles. We find that moderately sticky particles tend to form equilibrium self-limited aggregates whose size is set by an elastic boundary layer associated with collective deformations that may extend over many particles. Particles with a soft internal deformation mode thus give rise to large aggregates. Besides, when the particles are incompressible, their aggregates tend to be anisotropic and fiber-like. Our results are preserved in a more complex particle model with randomly chosen elastic properties. This indicates that generic protein characteristics such as allostery and incompressibility could favor the formation of fibers in protein aggregation, and suggests design principles for artificial self-assembling structures.

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