平均结构相似性方法在蛋白质侧链优势构象数据库建立的应用  

Application of Average Similarity of Structure on Development of Data-Base for Optimal Conformation of Protein Side Chain

作　　者：李娟[1] 李向真[2] 郭诚[2] 薛林锋[2] 陆佳[2] 方慧生[2] 

机构地区：[1]南京鼓楼医院血液科,江苏南京210008 [2]中国药科大学生命科学与技术学院,江苏南京210009

出　　处：《药物生物技术》2011年第3期256-259,共4页Pharmaceutical Biotechnology

摘　　要：蛋白质侧链的研究尤其是天然构象预测的侧链安装是非常重要的研究课题之一。文章基于结构平均相似性方法,初步构建了一个蛋白质侧链优势构象数据库,由于它在总体上与各种环境下的侧链构象相似性最大,为蛋白质天然构象预测的侧链安装提供了很好的构象,可以为蛋白质构象的优化节省一定的时间。The research of protein side chain is one of the most important field in protein structure prediction. In order to increase the efficiency of structure prediction of protein side chain, the average similarity of structure is used to choose the optimal conformation. In this paper, a database for optimal conformation of protein side chain was developed by average similarity of structure, and it was developed by our lab. The whole work is based on the LINUX system and compiled by PERL. Since the RMSD is a common measurement of similarity in protein structures, we used it to construct a small database of the optimal conformation of 19 amino residues based on RMSD. It can provide nice initial structure of side chain for protein structure prediction and can save the time for optimizing protein conformation in most Dorbabilitv.

关 键 词：侧链结构预测 SCOP数据库 平均相似性方法 

分 类 号：Q51[生物学—生物化学]