Prediction of salt and mutational effects on the association rate of U1A protein and U1 small nuclear RNA stem/loop II
Prediction of salt and mutational effects on the association rate of U1A protein and U1 small nuclear RNA stem/loop II
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DOI：
10.1021/jp075919k
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发表时间：
2008-05-15
影响因子：
3.3
通讯作者：
Zhou, Huan-Xiang
中科院分区：
文献类型：
--
作者：
Qin, Sanbo;Zhou, Huan-Xiang
我们已经开发了用于预测蛋白质-蛋白质缔合速率的计算方法（Alsallaq和Zhou，Structure 2007，15，215）。在这里，我们扩大了这种方法对蛋白质-RNA结合的适用范围，并报告了通过原子建模预测的蛋白质-RNA结合率的第一个结果。研究的系统是U1蛋白和U1小核RNA的茎/环II。实验上观察到，结合率显着降低，通过增加盐浓度，而解离的变化不大，与盐浓度，远离结合位点的电荷使边际贡献的结合率。这些意见是合理的。此外，预测的盐和电荷突变的影响被发现与实验结果定量一致。
We have developed a computational approach for predicting protein-protein association rates (Alsallaq and Zhou, Structure 2007, 15, 215). Here we expand the range of applicability of this approach to protein-RNA binding and report the first results for protein-RNA binding rates predicted from atomistic modeling. The system studied is the U1A protein and stem/loop II of the U1 small nuclear RNA. Experimentally it was observed that the binding rate is significantly reduced by increasing salt concentration while the dissociation changes little with salt concentration, and charges distant from the binding site make marginal contribution to the binding rate. These observations are rationalized. Moreover, predicted effects of salt and charge mutations are found to be in quantitative agreement with experimental results.