Hydrogen Bonds: Simple after All?
Hydrogen Bonds: Simple after All?
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DOI：
10.1021/acs.biochem.8b00217
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发表时间：
2018-06-19
期刊：
影响因子：
2.9
通讯作者：
Pinney, Margaux M.
中科院分区：
文献类型：
--
作者：
Herschlag, Daniel;Pinney, Margaux M.
氢键在生物结构、功能和构象动力学中发挥着不可或缺的作用，是地球上生命进化的基础。然而，我们对这些基本和普遍存在的相互作用的理解似乎是支离破碎和不完整的，尽管发表了数千篇关于这个主题的论文，但很难提取关于氢键的一般性和原理，部分原因可能是这个主题的广泛性和研究的密度。幸运的是，最近的氢键提议、讨论和辩论刺激了新的测试和模型，并导致了氢键结构的非常简单的图景。这一知识还提供了氢键能量学的清晰度，限制和简化了需要考虑的因素。在这里，我们讲述了导致氢键结构、动力学和能量学这一更简单观点的进展。氢键长度的定量预测模型现在可以广泛和深入地应用于评估当前的提议，并揭示蛋白质的结构特征、它们的构象限制和它们的相关运动。相比之下，对蛋白质的分子识别和催化的定量能量描述仍然是一个重要的持续挑战，尽管我们对氢键的更好理解可能有助于测试当前和未来模型的预测。最后，我们将目前的理解状态编纂为五条“氢键规则”，这可能为理解和教授这些重要的相互作用提供基础，并有助于加深对氢键能量学的理解。
Hydrogen bonds play integral roles in biological structure, function, and conformational dynamics and are fundamental to life as it has evolved on Earth. However, our understanding of these fundamental and ubiquitous interactions has seemed fractured and incomplete, and it has been difficult to extract generalities and principles about hydrogen bonds despite thousands of papers published on this topic, perhaps in part because of the expanse of this subject and the density of studies. Fortunately, recent hydrogen bond proposals, discussions, and debates have stimulated new tests and models and have led to a remarkably simple picture of the structure of hydrogen bonds. This knowledge also provides clarity concerning hydrogen bond energetics, limiting and simplifying the factors that need be considered. Herein we recount the advances that have led to this simpler view of hydrogen bond structure, dynamics, and energetics. A quantitative predictive model for hydrogen bond length can now be broadly and deeply applied to evaluate current proposals and to uncover structural features of proteins, their conformational restraints, and their correlated motions. In contrast, a quantitative energetic description of molecular recognition and catalysis by proteins remains an important ongoing challenge, although our improved understanding of hydrogen bonds may aid in testing predictions from current and future models. We close by codifying our current state of understanding into five "Rules for Hydrogen Bonding" that may provide a foundation for understanding and teaching about these vital interactions and for building toward a deeper understanding of hydrogen bond energetics.