Anion binding to nucleic acids
Anion binding to nucleic acids
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DOI：
10.1016/j.str.2004.02.015
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发表时间：
2004-03-01
期刊：
影响因子：
5.7
通讯作者：
Westhof, E
中科院分区：
文献类型：
--
作者：
Auffinger, P;Bielecki, L;Westhof, E
核酸通常被认为是有效的阳离子结合剂。因此，很少考虑带负电的离子侵入其第一个水合壳的可能性。在这里，我们基于（i）核酸数据库的调查，（ii）从剑桥结构数据库中提取的几种结构，以及（iii）分子动力学模拟，表明主要涉及氨基、亚氨基和羟基的核苷酸正电边缘可以形成特定的阴离子结合位点。这些结合位点还构成了天冬氨酸和谷氨酸残基的带负电基团或核酸磷酸基团的结合的良好位置。此外，在一些情况下观察到阴离子，如水分子和阳离子，确实介导蛋白质/核酸相互作用。因此，阴离子以及带负电的基团直接参与涉及聚阴离子核酸的特异性识别和折叠现象。
Nucleic acids are generally considered as efficient cation binders. Therefore, the likelihood that negatively charged ions might intrude their first hydration shell is rarely considered. Here, we show on the basis of (i) a survey of the Nucleic Acid Database, (ii) several structures extracted from the Cambridge Structural Database, and (iii) molecular dynamics simulations, that the nucleotide electropositive edges involving mainly amino, imino, and hydroxyl groups can cast specific anion binding sites. These binding sites constitute also good locations for the binding of the negatively charged groups of the Asp and Glu residues or the nucleic acid phosphate groups. Furthermore, it is observed in several instances that anions, like water molecules and cations, do mediate protein/nucleic acid interactions. Thus, anions as well as negatively charged groups are directly involved in specific recognition and folding phenomena involving polyanionic nucleic acids.