寻找蛋白质缔合中分子间协同性的统一基序
Finding a unifying motif of intermolecular cooperativity in protein associations
摘要：
在分子水平上，大多数生物过程都需要蛋白质缔合，而蛋白质缔合又依赖于一小部分称为热点的界面残基。在这里，我们表明，热点共享一个统一的分子属性：它们提供了第三体贡献分子间的协同性。这种基序，基于界面静电相互作用的包裹，对于保持界面的完整性是必不可少的，并且可以在合理的药物设计中利用，因为这样的区域可以作为蓝图来设计破坏蛋白质-蛋白质界面的小分子。
英文摘要：
At the molecular level, most biological processes entail protein associations which in turn rely on a small fraction of interfacial residues called hot spots. Here we show that hot spots share a unifying molecular attribute: they provide a third-body contribution to intermolecular cooperativity. Such motif, based on the wrapping of interfacial electrostatic interactions, is essential to maintain the integrity of the interface and can be exploited in rational drug design since such regions may serve as blueprints to engineer small molecules disruptive of protein-protein interfaces.
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