A crystallographic and modelling study of a human telomeric RNA (TERRA) quadruplex.
A crystallographic and modelling study of a human telomeric RNA (TERRA) quadruplex.
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DOI：
10.1093/nar/gkq259
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发表时间：
2010-09
影响因子：
14.9
通讯作者：
Parkinson GN
中科院分区：
文献类型：
--
作者：
Collie GW;Haider SM;Neidle S;Parkinson GN
哺乳动物细胞中的DNA端粒重复序列被转录为富含鸟嘌呤的RNA序列，其采用具有螺旋桨样折叠的平行链G-四链体。成功的结晶和结构分析的双分子人端粒RNA G-四链体，折叠成相同的结晶环境作为一个等效的DNA寡核苷酸序列，在这里报道。RNA端粒四链体的稳定性增加的DNA的和他们的偏好，平行拓扑结构的结构基础在这里描述。我们的研究结果表明，RNA四链体中的2′-OH羟基在重新定义沟槽和氢键网络中的水合结构中起着重要作用。通过改变磷酸骨架来调节特定核苷酸填充C3′-内切糖折叠结构域的偏好，这通过增强的氢键网络导致更大的稳定性。DNA和RNA四链体的分子动力学模拟与这些发现是一致的。的计算，天然晶体结构的基础上，提供了一个解释RNA G-四链体配体结合选择性的一组萘二酰亚胺配体相比，DNA G-四链体。
DNA telomeric repeats in mammalian cells are transcribed to guanine-rich RNA sequences, which adopt parallel-stranded G-quadruplexes with a propeller-like fold. The successful crystallization and structure analysis of a bimolecular human telomeric RNA G-quadruplex, folded into the same crystalline environment as an equivalent DNA oligonucleotide sequence, is reported here. The structural basis of the increased stability of RNA telomeric quadruplexes over DNA ones and their preference for parallel topologies is described here. Our findings suggest that the 2′-OH hydroxyl groups in the RNA quadruplex play a significant role in redefining hydration structure in the grooves and the hydrogen bonding networks. The preference for specific nucleotides to populate the C3′-endo sugar pucker domain is accommodated by alterations in the phosphate backbone, which leads to greater stability through enhanced hydrogen bonding networks. Molecular dynamics simulations on the DNA and RNA quadruplexes are consistent with these findings. The computations, based on the native crystal structure, provide an explanation for RNA G-quadruplex ligand binding selectivity for a group of naphthalene diimide ligands as compared to the DNA G-quadruplex.
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DOI：
10.1107/s0907444904019158
发表时间：
2004-12-01
影响因子：
2.2
作者：
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通讯作者：
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影响因子：
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影响因子：
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作者：
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影响因子：
14.9
作者：
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