Ligand binding sites on the surface of protein quaternary structures

蛋白质与配体的相互作用是生物学中的一个基本过程。本项目的最终目标是揭示蛋白质表面配体结合位点的位置在进化过程中是如何被选择的。我们已经开发了一个数据集的蛋白质四级结构与配体。然后对配体结合位点的位置进行了统计，分析了配体结合位点的位置和几何特征与蛋白质动力学和蛋白质功能的关系。

Protein-ligand interaction is a basic process underlying diverse biological phenomena. The ultimate goal of this project is to reveal how the location of ligand binding sites on protein surface have been selected in the course of evolution. We have developed a dataset of protein quaternary structures with ligands. We then have taken the statistics of the location of ligand binding sites, and have analyzed the relationships between the location and geometric feature of the ligand binding site, protein dynamics and protein function, respectively.