Laboratoire de Physique Théorique et Modéles Statistiques, Centre National de la Recherche Scientifique Unité Mixte de Recherche 8626, Université Paris-Sud, F-91405 Orsay Cedex, France.
Proc Natl Acad Sci U S A. 2010 Feb 16;107(7):2746-50. doi: 10.1073/pnas.0914727107. Epub 2010 Jan 28.
Biomolecular folding and function are often coupled. During molecular recognition events, one of the binding partners may transiently or partially unfold, allowing more rapid access to a binding site. We describe a simple model for this fly-casting mechanism based on the capillarity approximation and polymer chain statistics. The model shows that fly casting is most effective when the protein unfolding barrier is small and the part of the chain which extends toward the target is relatively rigid. These features are often seen in known examples of fly casting in protein-DNA binding. Simulations of protein-DNA binding based on well-funneled native-topology models with electrostatic forces confirm the trends of the analytical theory.
生物分子的折叠和功能通常是相关联的。在分子识别事件中，一个结合配偶体可能会短暂或部分展开，从而更快速地接近结合位点。我们基于毛细作用近似和聚合物链统计，提出了一个用于描述这种飞钓机制的简单模型。该模型表明，当蛋白质展开势垒较小时，并且伸向目标的链段相对刚性时，飞钓最为有效。在已知的蛋白质-DNA 结合的飞钓实例中，通常可以看到这些特征。基于具有静电相互作用的良好导向的天然拓扑模型的蛋白质-DNA 结合模拟证实了分析理论的趋势。
