Department of Chemistry, Saint Louis University, Saint Louis, Missouri 63103, United States.
Biochemistry. 2010 Oct 26;49(42):9058-62. doi: 10.1021/bi101164s.
Relatively few thermodynamic parameters are available for RNA triloops. Therefore, 24 stem-loop sequences containing naturally occurring triloops were optically melted, and the thermodynamic parameters ΔH°, ΔS°, ΔG°(37), and T(M) for each stem-loop were determined. These new experimental values, on average, are 0.5 kcal/mol different from the values predicted for these triloops using the model proposed by Mathews et al. [Mathews, D. H., Disney, M. D., Childs, J. L., Schroeder, S. J., Zuker, M., and Turner, D. H. (2004) Proc. Natl. Acad. Sci. U.S.A. 101, 7287-7292]. The data for the 24 triloops reported here were then combined with the data for five triloops that were published previously. A new model was derived to predict the free energy contribution of previously unmeasured triloops. The average absolute difference between the measured values and the values predicted using this proposed model is 0.3 kcal/mol. These new experimental data and updated predictive model allow for more accurate calculations of the free energy of RNA stem-loops containing triloops and, furthermore, should allow for improved prediction of secondary structure from sequence.
RNA 三链体的热力学参数相对较少。因此,对 24 个包含天然三链体的茎环序列进行了光学熔融实验,并确定了每个茎环的热力学参数 ΔH°、ΔS°、ΔG°(37)和 T(M)。这些新的实验值与使用 Mathews 等人提出的模型预测的这些三链体的值平均相差 0.5 kcal/mol。[Mathews, D. H., Disney, M. D., Childs, J. L., Schroeder, S. J., Zuker, M., and Turner, D. H. (2004) Proc. Natl. Acad. Sci. U.S.A. 101, 7287-7292]。这里报告的 24 个三链体的数据与之前发表的 5 个三链体的数据相结合。得出了一个新的模型来预测以前未测量的三链体的自由能贡献。使用该建议模型预测的测量值和测量值之间的平均绝对差异为 0.3 kcal/mol。这些新的实验数据和更新的预测模型可以更准确地计算包含三链体的 RNA 茎环的自由能,并且可以进一步提高从序列预测二级结构的能力。