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首页> 外文期刊>Journal of Molecular Biology >Structural Diversity and Isomorphism of Hydrogen-bonded Base Interactions in Nucleic Acids.
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Structural Diversity and Isomorphism of Hydrogen-bonded Base Interactions in Nucleic Acids.

机译：核酸中氢键碱基相互作用的结构多样性和同构。

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摘要

The wide structural diversity of RNA results in part from the diversity of non-Watson-Crick interactions between bases. To examine the repertoire of possible hydrogen bond interactions among bases, we computed databases of base-pairs and base-triples by systematically matching all possible hydrogen-bond donors and acceptors between bases and evaluating the geometries of each planar configuration. For base-pairs, we find 53 arrangements having at least two hydrogen bonds, including 23 pairs with protonated bases that have not previously been modeled. A comparison with experimentally observed base-pairs reveals an unexpected G:U pair recently observed in the ribosome. For base-triples, we find 840 arrangements in which the three bases are constrained by a total of at least three hydrogen bonds. Base-triples in particular exhibit a wide range of structural diversity, suggesting how compact or elongated nucleic acid structures may be constructed using different hydrogen-bonding patterns. Base-pair and base-triple conformations were systematically compared to identify structurally isomorphic combinations, and the experimentally observed arrangements within double and triple helices are among the most isomorphic. Unexpectedly, however, other combinations in the database are even more isomorphic, including several in which all-purine arrangements overlap with all-pyrimidine arrangements. These studies highlight some of the combinatoric and geometric versatility of base interactions and help provide a framework for analyzing and modeling isomorphic interactions and potentially for designing novel nucleic acid structures.
机译：RNA的广泛结构多样性部分是由于碱基之间的非Watson-Crick相互作用所致。为了检查碱基之间可能存在的氢键相互作用的所有组成部分，我们通过系统地匹配碱基之间所有可能的氢键供体和受体并评估每种平面构型的几何结构，计算了碱基对和碱基三元组的数据库。对于碱基对，我们发现53个具有至少两个氢键的排列，包括23对带有质子化碱基的碱基，以前没有进行过建模。与实验观察到的碱基对的比较揭示了最近在核糖体中观察到的意外的G：U对。对于三元组，我们发现840种排列，其中三个碱基总共受到至少三个氢键的约束。特别是碱基三倍体表现出广泛的结构多样性，表明使用不同的氢键模式可以构建紧密或细长的核酸结构。系统地比较了碱基对和碱基三重构象以鉴定结构同构组合，并且在实验中观察到的双螺旋和三螺旋内的排列是最同构的。但是，出乎意料的是，数据库中的其他组合甚至更同构，包括几种其中全嘌呤排列与全嘧啶排列重叠的组合。这些研究突出了碱基相互作用的一些组合和几何通用性，并帮助提供了一个用于分析和建模同构相互作用以及潜在地设计新颖核酸结构的框架。

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