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首页> 外文期刊>Biochemistry >Solution structure of a DNA.RNA hybrid containing an alpha-anomeric thymidine and polarity reversals: d(ATGG-3'-3'-alphaT-5'-5'-GCTC). r(gagcaccau).
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Solution structure of a DNA.RNA hybrid containing an alpha-anomeric thymidine and polarity reversals: d(ATGG-3'-3'-alphaT-5'-5'-GCTC). r(gagcaccau).

机译：含有α-异头胸苷和极性反转的DNA.RNA杂交体的溶液结构：d（ATGG-3'-3'-alphaT-5'-5'-GCTC）。 r（gagcaccau）。

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摘要

We report the thermodynamic and structural properties of an alpha-containing DNA.RNA nonamer hybrid duplex, d(ATGG-3'-3'-alphaT-5'-5'-GCTC).r(gagcaccau). The RNA strand corresponds to the core of the initiation sequence for the transcript of the erbB-2 oncogene. The tandem anomeric and polarity changes in the DNA strand result in a slight decrease in thermostability (DeltaT(m) = -2.8 degrees C) compared to the unmodified control hybrid. The three-dimensional solution structure determination of the alpha-containing DNA.RNA hybrid, conducted via restrained molecular dynamics using interproton distance (nuclear Overhauser enhancement) and furanose ring torsion angle (J-based) restraints, converged to a final ensemble of structures from unique starting models. In agreement with hyperchromicity and circular dichroism data, the final average structure derived from this ensemble is consistent with an overall A-like motif featuring Watson-Crick base pairing and base stacking across the entire sequence, albeit with localized B-like traits within the DNA strand. Comparative pseudorotation analyses of the J-coupling data for this hybrid and its unmodified control reveal a surprising increase in S-puckering for two nucleotides immediately upstream of the 3'-3' linkage, and the associated narrowing of the minor groove in this portion of the hybrid. Other structural perturbations are localized to and diagnostic of the central alpha-nucleotide and juxtaposed polarity reversals. The structural information presented here has direct relevance to the design of future antisense oligonucleotides composed of these modifications.
机译：我们报告了热力学和结构特性的含α的DNA.RNA九聚体杂交双链体，d（ATGG-3'-3'-alphaT-5'-5'-GCTC）.r（gagcaccau）。 RNA链对应于erbB-2癌基因的转录物的起始序列的核心。与未修饰的对照杂种相比，DNA链中的串联异头异构体和极性变化导致热稳定性略有下降（DeltaT（m）= -2.8摄氏度）。通过使用质子间距离（核Overhauser增强）和呋喃糖环扭转角（基于J）的约束，通过受约束的分子动力学，对含alpha的DNA.RNA杂合物进行三维溶液结构测定，最终收敛到由独特的起始模型。与增色性和圆二色性数据相一致，从该集合中获得的最终平均结构与具有整个Watson-Crick碱基配对和整个序列碱基堆积的A样基序一致，尽管在DNA内具有局部B样特征。股。对该杂种及其未修饰的对照的J耦合数据进行的比较假旋转分析表明，紧接在3'-3'连接上游的两个核苷酸的S-折叠起了令人惊讶的增加，并且该区域的小沟也随之变窄。混合动力。其他结构扰动位于中央α-核苷酸和并置极性反转并对其进行诊断。本文提供的结构信息与由这些修饰组成的未来反义寡核苷酸的设计直接相关。

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