Guschlbauer W
Biochim Biophys Acta. 1980 Nov 14;610(1):47-55. doi: 10.1016/0005-2787(80)90054-4.
A graphical method is described which permits the determination in solution of conformational equilibria and parameters of ribonucleosides from proton-proton coupling constants. The method is based on the pseudorotational concept and the use of the Karplus equation. Using a large number of 1H-NMR data on ribonucleosides from the literature, on optimal set of Karplus constants, A = 10.0, B = -1.2, was obtained. It is shown that this set of Karplus constants, in connection with the pseudorotational treatment, describes satisfactorily the nucleoside conformations, especially the pucker amplitude. The solution results are compared with X-ray data and the differences are discussed. The method can be used either graphically or by direct computer treatment of the data.
本文描述了一种图解方法，该方法可根据质子-质子耦合常数来确定核糖核苷在溶液中的构象平衡和参数。该方法基于假旋转概念和卡尔普斯方程的应用。利用文献中大量关于核糖核苷的1H-NMR数据，得到了一组最佳的卡尔普斯常数：A = 10.0，B = -1.2。结果表明，这组卡尔普斯常数与假旋转处理相结合，能够令人满意地描述核苷的构象，尤其是折叠幅度。将溶液法的结果与X射线数据进行了比较，并对差异进行了讨论。该方法既可以通过图解方式使用，也可以直接对数据进行计算机处理。
