氢键合核酸碱基质子化学位移的理论研究
Theoretical study on the proton chemical shifts of hydrogen bonded nucleic acid bases.
作者信息
Giessner-Prettre C, Pullman B, Caillet J
出版信息
Nucleic Acids Res. 1977 Jan;4(1):99-116. doi: 10.1093/nar/4.1.99.
Abstract
The variation of the proton chemical shifts due to the formation intermolecular hydrogen bonds is computed for a number of complexes which can be formed between the bases of the nucleic acids. The shifts expected for the isolated base pairs, in particular for the G-N1 H, T(or U)-N3H protons and the protons of the amino groups of A, G c, when combined with previous computations on the shifts to be expected upon base stacking, may enable a refined analysis of the high resolution NMR spectra of self complementary polynucleotides or tRNAs. Two examples are presented of a direct computation of proton shits associated with helix-coil transitions, helpful for deducing the helical structure in solution.
摘要
针对核酸碱基之间可能形成的多种复合物，计算了由于分子间氢键形成导致的质子化学位移变化。对于孤立碱基对预期的化学位移，特别是G - N1 H、T（或U）- N3H质子以及A、G中氨基的质子，当与先前关于碱基堆积时预期的化学位移计算相结合时，可能有助于对自互补多核苷酸或tRNA的高分辨率核磁共振谱进行精细分析。给出了两个与螺旋 - 线圈转变相关的质子位移直接计算的例子，有助于推断溶液中的螺旋结构。
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