Si Jing-Na, Yan Ren-Xiang, Wang Chuan, Zhang Ziding, Su Xiao-Dong
State Key Laboratory of Agrobiotechnology, College of Biological Sciences, China Agricultural University, Beijing 100193, China.
BMC Struct Biol. 2009 Dec 14;9:73. doi: 10.1186/1472-6807-9-73.
The triosephosphate isomerase (TIM)-barrel fold occurs frequently in the proteomes of different organisms, and the known TIM-barrel proteins have been found to play diverse functional roles. To accelerate the exploration of the sequence-structure protein landscape in the TIM-barrel fold, a computational tool that allows sensitive detection of TIM-barrel proteins is required.
To develop a new TIM-barrel protein identification method in this work, we consider three descriptors: a sequence-alignment-based descriptor using PSI-BLAST e-values and bit scores, a descriptor based on secondary structure element alignment (SSEA), and a descriptor based on the occurrence of PROSITE functional motifs. With the assistance of Support Vector Machine (SVM), the three descriptors were combined to obtain a new method with improved performance, which we call TIM-Finder. When tested on the whole proteome of Bacillus subtilis, TIM-Finder is able to detect 194 TIM-barrel proteins at a 99% confidence level, outperforming the PSI-BLAST search as well as one existing fold recognition method.
TIM-Finder can serve as a competitive tool for proteome-wide TIM-barrel protein identification. The TIM-Finder web server is freely accessible at http://202.112.170.199/TIM-Finder/.
磷酸丙糖异构酶(TIM)桶状折叠在不同生物体的蛋白质组中频繁出现,并且已发现已知的TIM桶状蛋白具有多种功能作用。为了加速对TIM桶状折叠中序列 - 结构蛋白质格局的探索,需要一种能够灵敏检测TIM桶状蛋白的计算工具。
在这项工作中,为了开发一种新的TIM桶状蛋白识别方法,我们考虑了三个描述符:一个基于序列比对的描述符,使用PSI - BLAST的期望值和比特分数;一个基于二级结构元件比对(SSEA)的描述符;以及一个基于PROSITE功能基序出现情况的描述符。在支持向量机(SVM)的辅助下,将这三个描述符组合起来,得到了一种性能有所提高的新方法,我们将其称为TIM - Finder。当在枯草芽孢杆菌的全蛋白质组上进行测试时,TIM - Finder能够在99%的置信水平下检测到194个TIM桶状蛋白,其性能优于PSI - BLAST搜索以及一种现有的折叠识别方法。
TIM - Finder可作为全蛋白质组范围内TIM桶状蛋白识别的一种有竞争力的工具。TIM - Finder网络服务器可通过http://202.112.170.199/TIM - Finder/免费访问。