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首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >Theory of nonrigid rotational motion applied to NMR relaxation in RNA
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Theory of nonrigid rotational motion applied to NMR relaxation in RNA

机译：非刚性旋转理论应用于RNA的NMR弛豫

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摘要

Solution NMR spectroscopy can elucidate many features of the structure and dynamics of macromolecules, yet relaxation measurements, the most common source of experimental information on dynamics, can sample only certain ranges of dynamic rates. A complete characterization of motion of a macromolecule thus requires the introduction of complementary experimental approaches. Solid-state NMR spectroscopy successfully probes the time scale of nanoseconds to microseconds, a dynamic window where solution NMR results have been deficient, and probes conditions where the averaging effects of rotational diffusion of the molecule are absent. Combining the results of the two distinct techniques within a single framework provides greater insight into dynamics, but this task requires the common interpretation of results recorded under very different experimental conditions. Herein, we provide a unified description of dynamics that is robust to the presence of large-scale conformational exchange, where the diffusion tensor of the molecule varies on a time scale comparable to rotational diffusion in solution. We apply this methodology to the HIV-1 TAR RNA molecule, where conformational rearrangements are both substantial and functionally important. The formalism described herein is of greater generality than earlier combined solid-state/solution NMR interpretations, if detailed molecular structures are available, and can offer a more complete description of RNA dynamics than either solution or solid-state NMR spectroscopy alone.
机译：溶液NMR光谱学可以阐明大分子的结构和动力学的许多特征，然而弛豫测量是动力学实验信息的最常见来源，只能对一定范围的动力学速率进行采样。因此，大分子运动的完整表征需要引入互补的实验方法。固态NMR光谱法成功地探测了纳秒到微秒的时间刻度，解决了溶液NMR结果不足的动态窗口，并探测了分子旋转扩散的平均效应不存在的条件。将两种不同技术的结果组合在一个框架中可提供对动力学的更深入了解，但此任务需要对在非常不同的实验条件下记录的结果进行通用解释。在这里，我们提供了对大规模构象交换存在鲁棒性的动力学的统一描述，其中分子的扩散张量在时间尺度上与溶液中的旋转扩散相当。我们将此方法应用于HIV-1 TAR RNA分子，其中构象重排既重要又功能重要。如果可获得详细的分子结构，则本文所述的形式主义比早期的组合式固态/溶液NMR解释更具普遍性，并且与单独的溶液或固态NMR光谱相比，它可以提供对RNA动力学的更完整描述。

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