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使用线性判别分析预测蛋白质中的SUMO化位点。

Prediction of sumoylation sites in proteins using linear discriminant analysis.

作者信息

Xu Yan, Ding Ya-Xin, Deng Nai-Yang, Liu Li-Ming

机构信息

Department of Information and Computer Science, University of Science and Technology Beijing, Beijing 100083, China.

College of Science, China Agricultural University, Beijing 100083, China.

出版信息

Gene. 2016 Jan 15;576(1 Pt 1):99-104. doi: 10.1016/j.gene.2015.09.072. Epub 2015 Nov 9.

Abstract

Sumoylation is a multifunctional post-translation modification (PTM) in proteins by the small ubiquitin-related modifiers (SUMOs), which have relations to ubiquitin in molecular structure. Sumoylation has been found to be involved in some cellular processes. It is very significant to identify the exact sumoylation sites in proteins for not only basic researches but also drug developments. Comparing with time exhausting experiment methods, it is highly desired to develop computational methods for prediction of sumoylation sites as a complement to experiment in the post-genomic age. In this work, three feature constructions (AAIndex, position-specific amino acid propensity and modification of composition of k-space amino acid pairs) and five different combinations of them were used to construct features. At last, 178 features were selected as the optimal features according to the Mathew's correlation coefficient values in 10-fold cross validation based on linear discriminant analysis. In 10-fold cross-validation on the benchmark dataset, the accuracy and Mathew's correlation coefficient were 86.92% and 0.6845. Comparing with those existing predictors, SUMO_LDA showed its better performance.

摘要

SUMO化是一种由小泛素相关修饰物(SUMO)对蛋白质进行的多功能翻译后修饰(PTM),SUMO在分子结构上与泛素相关。SUMO化已被发现参与一些细胞过程。确定蛋白质中确切的SUMO化位点不仅对基础研究而且对药物开发都非常重要。与耗时的实验方法相比,在后基因组时代,迫切需要开发计算方法来预测SUMO化位点,作为实验的补充。在这项工作中,使用了三种特征构建方法(氨基酸指数、位置特异性氨基酸倾向和k空间氨基酸对组成的修饰)及其五种不同组合来构建特征。最后,根据基于线性判别分析的10折交叉验证中的马修斯相关系数值,选择了178个特征作为最佳特征。在基准数据集上进行的10折交叉验证中,准确率和马修斯相关系数分别为86.92%和0.6845。与现有预测器相比,SUMO_LDA表现出更好的性能。

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