The stereospecific assignment of H5' and H5'' in RNA using the sign of two-bond carbon-proton scalar couplings
The stereospecific assignment of H5' and H5'' in RNA using the sign of two-bond carbon-proton scalar couplings
复制标题
使用二键碳-质子标量耦合符号对 RNA 中的 H5 和 H5 进行立体定向分配
DOI：
10.1021/ja00076a073
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发表时间：
1993
影响因子：
15
通讯作者：
I. Tinoco
中科院分区：
文献类型：
--
作者：
J. Hines;G. Varani;S. M. Landry;I. Tinoco
核酸NMR谱中H5'和H5'质子的立体特异性分配在使用NOE距离和扭转角约束进行结构测定方面提供了显著的改进。通过立体专一性分配，扭转角[β]（P5 ′-O 5 ′-C5 ′-C4 ′）和[γ]（O 5 ′-C5 ′-C4 ′-C3 ′）可以基于[sup 1]H-[sup 1]H和[sup 31]P-[sup 1]H偶合来确定。此外，立体特异性分配允许对H5'和H5'使用NOE距离约束。我们报道了一种新的，独立的方法，立体专一性分配的H5'（pro-S）和H5'（pro-R）质子，这是只基于碳-质子两键标量耦合的符号，将不会受到很大的限制线宽。[sup 2]J[sub CH]的符号也可用于确定扭转角[gamma]和糖构象。双键碳-质子耦合符号的确定为RNA分子结构的确定提供了一种新的方法。可以指定核糖构象和扭转角[gamma]（O 5 '-C5'-C4 '-C3'）。此外，H5'和H5'质子可以立体特异性指定，允许它们用于NOE距离约束和确定[beta]（P5 '-O 5'-C5 '-C4'）。我们已经报道的[sup 2]J[sub CH]符号与RNA结构之间的相关性在研究大RNA和RNA-蛋白质复合物中将更加特别有用。参考文献21篇，图1，1个选项卡。«少
Stereospecific assignment of H5' and H5' protons in the NMR spectra of nucleic acids provides significant improvement in the use of NOE distance and torsion angle constraints for structure determination. With stereospecific assignments, the torsion angles [beta] (P5'-O5'-C5'-C4') and [gamma] (O5'-C5'-C4'-C3') can be determined on the basis of [sup 1]H-[sup 1]H and [sup 31]P-[sup 1]H couplings. In addition, stereospecific assignment allows use of NOE distance constraints for H5' and H5'. We report a novel, independent method for the stereospecific assignment of the H5' (pro-S) and H5' (pro-R) protons which is based only on the sign of the carbon-proton two-bond scalar couplings and will not be greatly limited by line width. The sign of [sup 2]J[sub CH] can also be used to determine torsion angle [gamma] and the sugar conformation. Determination of the sign of the two-bond carbon-proton couplings provides a useful new method for the structure determination of RNA molecules. The ribose sugar conformation and torsion angle [gamma] (O5'-C5'-C4'-C3') can be specified. Furthermore, H5' and H5' protons can be stereospecifically assigned, allowing their use in NOE distance constraints and in determining [beta] (P5'-O5'-C5'-C4'). The correlation we have reported between the sign of [sup 2]J[sub CH] and RNA structure will bemore » particularly useful in the study of large RNAs and RNA-protein complexes. 21 refs., 1 fig., 1 tab.« less