G-triplex structure and formation propensity.
G-triplex structure and formation propensity.
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DOI：
10.1093/nar/gku1084
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发表时间：
2014-12-01
影响因子：
14.9
通讯作者：
Luchinat C
中科院分区：
文献类型：
--
作者：
Cerofolini L;Amato J;Giachetti A;Limongelli V;Novellino E;Parrinello M;Fragai M;Randazzo A;Luchinat C
凝血酶结合适体(TBA)的G-三链折叠中间体(TBA)最近被元动力学计算预测，并得到3‘端TBA截短的11-聚体寡核苷酸(11-mer-3’-t-TBA)的核磁共振(NMR)、圆二色谱(CD)和差示扫描量热(DSC)数据的实验支持。本文给出了11-聚-3‘-t-TBA在钾离子存在下的溶液结构。这种结构是第一个G-三链折叠的实验例子，其中一个类似Hoogsteen的氢键网络稳定了六个鸟嘌呤，形成了两个G：G：G三联体平面。11-Mer-3‘-t-TBA的G-三链折叠被钾离子稳定，但随温度升高而不稳定。实验结构与元动力学预测结构的叠加显示出很大的相似性，只有涉及两个环的显著差异。这些新的结构数据表明，11-mer-3‘-t-TBA以G-三链DNA构象为其稳定形式，支持了G-三链折叠中间体可能在人体富含鸟嘌呤序列中存在的观点。对8种不同结构的核磁共振和CD筛选表明，只有11-mer-3‘-t-TBA产生了相对稳定的G-三链体。
The occurrence of a G-triplex folding intermediate of thrombin binding aptamer (TBA) has been recently predicted by metadynamics calculations, and experimentally supported by Nuclear Magnetic Resonance (NMR), Circular Dichroism (CD) and Differential Scanning Calorimetry (DSC) data collected on a 3′ end TBA-truncated 11-mer oligonucleotide (11-mer-3′-t-TBA). Here we present the solution structure of 11-mer-3′-t-TBA in the presence of potassium ions. This structure is the first experimental example of a G-triplex folding, where a network of Hoogsteen-like hydrogen bonds stabilizes six guanines to form two G:G:G triad planes. The G-triplex folding of 11-mer-3′-t-TBA is stabilized by the potassium ion and destabilized by increasing the temperature. The superimposition of the experimental structure with that predicted by metadynamics shows a great similarity, with only significant differences involving two loops. These new structural data show that 11-mer-3′-t-TBA assumes a G-triplex DNA conformation as its stable form, reinforcing the idea that G-triplex folding intermediates may occur in vivo in human guanine-rich sequences. NMR and CD screening of eight different constructs obtained by removing from one to four bases at either the 3′ and the 5′ ends show that only the 11-mer-3′-t-TBA yields a relatively stable G-triplex.
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影响因子：
2.2
作者：
Enthart, Andreas;Freudenberger, J. Christoph;Luy, Burkhard
通讯作者：
Luy, Burkhard
DOI：
10.1080/07391102.2004.10506977
发表时间：
2004-08-01
影响因子：
4.4
作者：
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作者：
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通讯作者：
Parrinello, Michele
影响因子：
2.7
作者：
Banci, L;Bertini, I;Parigi, G
通讯作者：
Parigi, G