• 关键字: 李嫣 JCIM杂志 蛋白-蛋白相互作用 发布者：宣传部 发布时间：2013-08-29 20:18:06 点击数: 7439次

Yan Li, Zhihai Liu, Li Han, Chengke Li, Renxiao Wang *, "Mining the Characteristic Interaction Patterns on Protein–Protein Binding Interfaces", J. Chem. Inf. Model., 2013, Vol. 53 (9), pp 2437-2447

http://pubs.acs.org/doi/abs/10.1021/ci400241s

Protein–protein interactions are observed in various biological processes. They are important for understanding the underlying molecular mechanisms and can be potential targets for developing small-molecule regulators of such processes. Previous studies suggest that certain residues on protein–protein binding interfaces are "hot spots". As an extension to this concept, we have developed a residue-based method to identify the characteristic interaction patterns (CIPs) on protein–protein binding interfaces, in which each pattern is a cluster of four contacting residues. Systematic analysis was conducted on a nonredundant set of 1,222 protein–protein binding interfaces selected out of the entire Protein Data Bank. Favored interaction patterns across different protein–protein binding interfaces were retrieved by considering both geometrical and chemical conservations. As demonstrated on two test tests, our method was able to predict hot spot residues on protein–protein binding interfaces with good recall scores and acceptable precision scores. By analyzing the function annotations and the evolutionary tree of the protein–protein complexes in our data set, we also observed that protein–protein interfaces sharing common characteristic interaction patterns are normally associated with identical or similar biological functions.

上一篇: 徐耀春同学等在ChemMedChem杂志发表Bcl2家族蛋白相关化合物文章      下一篇: 本课题组与柳红、王慧课题组于ChemMedChem杂志合作发表文章