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首页> 外文期刊>Chemistry: A European journal >Unexpected Importance of Aromatic-Aliphatic and Aliphatic Side Chain-Backbone Interactions in the Stability of Amyloids
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Unexpected Importance of Aromatic-Aliphatic and Aliphatic Side Chain-Backbone Interactions in the Stability of Amyloids

机译：芳族脂族和脂族侧链 - 骨架相互作用的意想不到的淀粉样蛋白稳定性

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摘要

The role of aromatic and nonaromatic amino acids in amyloid formation has been elucidated by calculating interaction energies between b-sheets in amyloid model systems using density functional theory (B3LYP-D3/6-31G*). The model systems were based on experimental crystal structures of two types of amyloids: (1) with aromatic amino acids, and (2) without aromatic amino acids. Data show that these two types of amyloids have similar interaction energies, supporting experimental findings that aromatic amino acids are not essential for amyloid formation. However, different factors contribute to the stability of these two types of amyloids. In the former, the presence of aromatic amino acids significantly contributes to the strength of interactions between side chains; interactions between aromatic and aliphatic side chains are the strongest, followed by aromatic-aromatic interactions, while aliphatic-aliphatic interactions are the weakest. In the latter, that is, the amyloids without aromatic residues, stability is provided by interactions of aliphatic side chains with the backbone and, in some cases, by hydrogen bonds.
机译：通过使用密度官能理论（B3LYP-D3 / 6-31G *）计算淀粉样蛋白模型系统的B片之间的相互作用能量，阐明了芳族和非芳族氨基酸的作用。模型系统基于两种类型的淀粉样蛋白的实验晶体结构：（1），具有芳族氨基酸，（2），没有芳族氨基酸。数据表明，这两种类型的淀粉样蛋白具有相似的相互作用能量，支持芳族氨基酸对淀粉样蛋白形成不是必需的实验结果。然而，不同的因素有助于这两种类型的淀粉样蛋白的稳定性。在前者中，芳族氨基酸的存在显着有助于侧链之间相互作用的强度;芳族和脂族侧链之间的相互作用是最强的，其次是芳族芳族相互作用，而脂族 - 脂族相互作用是最弱的。在后者中，即没有芳族残基的淀粉样蛋白，通过脂族侧链与骨架的相互作用提供稳定性，并且在某些情况下，通过氢键。

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