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首页> 外文期刊>Journal of Molecular Biology >Argininamide Binding Arrests Global Motions in HIV-1 TAR RNA: Comparison with Mg(2+)-induced Conformational Stabilization.
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Argininamide Binding Arrests Global Motions in HIV-1 TAR RNA: Comparison with Mg(2+)-induced Conformational Stabilization.

机译：精氨酸酰胺结合逮捕HIV-1 TAR RNA中的全球运动：与Mg（2+）诱导的构象稳定化的比较。

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摘要

The structure and dynamics of the stem-loop transactivation response element (TAR) RNA from the human immunodeficiency virus type-1 (HIV-1) bound to the ligand argininamide (ARG) has been characterized using a combination of a large number of residual dipolar couplings (RDCs) and trans-hydrogen bond NMR methodology. Binding of ARG to TAR changes the average inter-helical angle between the two stems from approximately 47 degrees in the free state to approximately 11 degrees in the bound state, and leads to the arrest of large amplitude (+/-46 degrees ) inter-helical motions observed previously in the free state. While the global structural dynamics of TAR-ARG is similar to that previously reported for TAR bound to Mg(2+), there are substantial differences in the hydrogen bond alignment of bulge and neighboring residues. Based on a novel H5(C5)NN experiment for probing hydrogen-mediated (2h)J(N,N) scalar couplings as well as measured RDCs, the TAR-ARG complex is stabilized by a U38-A27.U23 base-triple involving an A27.U23 reverse Hoogsteen hydrogen bond alignment as well as by a A22-U40 Watson-Crick base-pair at the junction of stem I. These hydrogen bond alignments are not observed in either the free or Mg(2+) bound forms of TAR. The combined conformational analysis of TAR under three states reveals that ligands and divalent ions can stabilize similar RNA global conformations through distinct interactions involving different hydrogen bond alignments in the RNA.
机译：来自人类免疫缺陷病毒1型（HIV-1）与配体精氨酰胺（ARG）结合的茎环反式激活应答元件（TAR）RNA的结构和动力学已通过使用大量残留的双极性残基的组合进行了表征偶联（RDC）和反氢键NMR方法学。 ARG与TAR的结合将两个茎之间的平均螺旋间角从自由状态下的约47度变为结合状态下的约11度，并导致大幅度（+/- 46度）先前在自由状态下观察到的螺旋运动。尽管TAR-ARG的全局结构动力学与先前报道的TAR与Mg（2+）结合的动力学相似，但在凸起和相邻残基的氢键排列中存在很大差异。基于探测氢介导的（2h）J（N，N）标量偶合以及测量的RDC的新颖H5（C5）NN实验，TAR-ARG络合物通过U38-A27.U23基三重链（包括A27.U23反向Hoogsteen氢键排列以及茎I交界处的A22-U40 Watson-Crick碱基对。这些氢键排列在游离或Mg（2+）结合形式中均未观察到柏油。三种状态下TAR的组合构象分析表明，配体和二价离子可以通过涉及RNA中不同氢键排列的独特相互作用来稳定相似的RNA整体构象。

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