Kozelka Jiří
Department of Condensed Matter Physics, Faculty of Science, Masaryk University, Kotlářská 2, 61137, Brno, Czech Republic.
INSERM, U 1134, DSIMB, 75739, Paris, France.
Eur Biophys J. 2017 Dec;46(8):729-737. doi: 10.1007/s00249-017-1210-1. Epub 2017 May 2.
Lone pair-π interactions are now recognized as a supramolecular bond whose existence in biological systems is documented by a growing number of examples. They are commonly attributed to electrostatic forces. This review attempts to highlight some recent discoveries evidencing the important role which lone pair-π interactions, and anion-π interactions in particular, play in stabilizing the structure and affecting the function of biomolecules. Special attention is paid to studies exploring the physical origin of these at first glance counterintuitive interactions between a lone pair of electrons of one residue and the π-cloud of another. Recent theoretical work went beyond the popular electrostatic model and inquired the extent to which orbital interactions have to be taken into account. In at least one biologically relevant case-that of anion-flavin interactions-a substantial charge-transfer component has been shown to operate.
孤对电子-π相互作用如今被视为一种超分子键，越来越多的实例证明了其在生物系统中的存在。它们通常被归因于静电力。本综述旨在突出一些最新发现，这些发现表明孤对电子-π相互作用，尤其是阴离子-π相互作用，在稳定生物分子结构和影响其功能方面发挥着重要作用。特别关注了那些探究一个残基的孤对电子与另一个残基的π电子云之间乍一看违反直觉的相互作用的物理起源的研究。近期的理论工作超越了流行的静电模型，探讨了必须考虑轨道相互作用的程度。至少在一个与生物学相关的例子——阴离子-黄素相互作用中——已证明存在大量电荷转移成分。
