n–p interaction study in biomolecules: on the importance of cooperativity effects†
n–p interaction study in biomolecules: on the importance of cooperativity effects†
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生物分子中的 n-p 相互作用研究：合作效应的重要性†
DOI：
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发表时间：
2015
期刊：
影响因子：
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通讯作者：
D. Quiñonero
中科院分区：
文献类型：
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作者：
X. Lucas;Antonio Bauzá;Antonio Fronterab;D. Quiñonero
非共价相互作用在分子间关系的科学中具有组成性作用，特别是那些涉及芳环如p-p和阳离子-p的分子间关系。近年来，阴离子-p接触也被认为是一种在化学过程中具有重要意义的非共价键相互作用。然而，它参与生物过程的报道很少。在这里，我们提出了一个大规模的PDB分析的发生在蛋白质和核酸的阴离子-p相互作用。此外，我们还进一步考虑了通过包含第二种非共价相互作用（即p-堆积、T-形或阳离子-p相互作用）形成阴离子-p- p和阴离子-p-阳离子三元组而存在的协同效应。数以千计的识别相互作用的统计分析揭示了显着的选择性和微妙的协同效应之间的阴离子，p-系统，阳离子在生物背景下。报道的结果强调了阴离子-p相互作用的重要性，以及在关键生物过程中，如蛋白质折叠和功能以及核酸-蛋白质和蛋白质-蛋白质识别中三元接触所产生的协同性。我们包括阴离子-p相互作用的例子和涉及酶催化，表观遗传基因调控，抗原-抗体识别和蛋白质二聚化的三联体puridine。
Noncovalent interactions have a constitutive role in the science of intermolecular relationships, particularly those involving aromatic rings such as p–p and cation–p. In recent years, anion–p contact has also been recognized as a noncovalent bonding interaction with important implications in chemical processes. Yet, its involvement in biological processes has been scarcely reported. Herein we present a large-scale PDB analysis of the occurrence of anion–p interactions in proteins and nucleic acids. In addition we have gone a step further by considering the existence of cooperativity effects through the inclusion of a second noncovalent interaction, i.e. p-stacking, T-shaped, or cation–p interactions to form anion–p– p and anion–p–cation triads. The statistical analysis of the thousands of identified interactions reveals striking selectivities and subtle cooperativity effects among the anions, p-systems, and cations in a biological context. The reported results stress the importance of anion–p interactions and the cooperativity that arises from ternary contacts in key biological processes, such as protein folding and function and nucleic acids–protein and protein–protein recognition. We include examples of anion–p interactions and triads putatively involved in enzymatic catalysis, epigenetic gene regulation, antigen– antibody recognition, and protein dimerization.