Tyagi M, Sharma P, Swamy C S, Cadet F, Srinivasan N, de Brevern A G, Offmann B
Laboratoire de Biochimie et Génétique Moléculaire, Bioinformatics Team, Université de La Réunion, BP 7151, 15 avenue René Cassin, 97715 Saint Denis Messag Cedex 09, La Réunion, France.
Nucleic Acids Res. 2006 Jul 1;34(Web Server issue):W119-23. doi: 10.1093/nar/gkl199.
Encoding protein 3D structures into 1D string using short structural prototypes or structural alphabets opens a new front for structure comparison and analysis. Using the well-documented 16 motifs of Protein Blocks (PBs) as structural alphabet, we have developed a methodology to compare protein structures that are encoded as sequences of PBs by aligning them using dynamic programming which uses a substitution matrix for PBs. This methodology is implemented in the applications available in Protein Block Expert (PBE) server. PBE addresses common issues in the field of protein structure analysis such as comparison of proteins structures and identification of protein structures in structural databanks that resemble a given structure. PBE-T provides facility to transform any PDB file into sequences of PBs. PBE-ALIGNc performs comparison of two protein structures based on the alignment of their corresponding PB sequences. PBE-ALIGNm is a facility for mining SCOP database for similar structures based on the alignment of PBs. Besides, PBE provides an interface to a database (PBE-SAdb) of preprocessed PB sequences from SCOP culled at 95% and of all-against-all pairwise PB alignments at family and superfamily levels. PBE server is freely available at http://bioinformatics.univ-reunion.fr/PBE/.
使用短结构原型或结构字母表将蛋白质三维结构编码为一维字符串,为结构比较和分析开辟了新的领域。我们以记录详尽的蛋白质模块(PB)的16个基序作为结构字母表,开发了一种方法,通过使用针对PB的替换矩阵的动态规划算法来比对编码为PB序列的蛋白质结构,从而对其进行比较。该方法在蛋白质模块专家(PBE)服务器提供的应用程序中得以实现。PBE解决了蛋白质结构分析领域的常见问题,如蛋白质结构比较以及在结构数据库中识别与给定结构相似的蛋白质结构。PBE-T提供了将任何PDB文件转换为PB序列的功能。PBE-ALIGNc基于两个蛋白质结构相应PB序列的比对来进行结构比较。PBE-ALIGNm是一个基于PB比对在SCOP数据库中挖掘相似结构的工具。此外,PBE提供了一个接口,可接入一个数据库(PBE-SAdb),该数据库包含从SCOP中以95%的筛选率得到的预处理PB序列,以及家族和超家族水平上的所有两两PB比对。PBE服务器可在http://bioinformatics.univ-reunion.fr/PBE/免费获取。