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SumSec:利用预测的二级结构准确预测类泛素化位点

SumSec: Accurate Prediction of Sumoylation Sites Using Predicted Secondary Structure.

机构信息

Department of Computer Science, Morgan State University, Baltimore, MD 21251, USA.

Genesis Institute of Genetic Research, Genesis Healthcare Co., Tokyo 150-6015, Japan.

出版信息

Molecules. 2018 Dec 10;23(12):3260. doi: 10.3390/molecules23123260.

Abstract

Post Translational Modification (PTM) is defined as the modification of amino acids along the protein sequences after the translation process. These modifications significantly impact on the functioning of proteins. Therefore, having a comprehensive understanding of the underlying mechanism of PTMs turns out to be critical in studying the biological roles of proteins. Among a wide range of PTMs, sumoylation is one of the most important modifications due to its known cellular functions which include transcriptional regulation, protein stability, and protein subcellular localization. Despite its importance, determining sumoylation sites via experimental methods is time-consuming and costly. This has led to a great demand for the development of fast computational methods able to accurately determine sumoylation sites in proteins. In this study, we present a new machine learning-based method for predicting sumoylation sites called SumSec. To do this, we employed the predicted secondary structure of amino acids to extract two types of structural features from neighboring amino acids along the protein sequence which has never been used for this task. As a result, our proposed method is able to enhance the sumoylation site prediction task, outperforming previously proposed methods in the literature. SumSec demonstrated high sensitivity (0.91), accuracy (0.94) and MCC (0.88). The prediction accuracy achieved in this study is 21% better than those reported in previous studies. The script and extracted features are publicly available at: https://github.com/YosvanyLopez/SumSec.

摘要

翻译后修饰(PTM)被定义为在翻译过程之后沿着蛋白质序列对氨基酸进行的修饰。这些修饰对蛋白质的功能有显著影响。因此,全面了解PTM的潜在机制对于研究蛋白质的生物学作用至关重要。在众多的PTM中,SUMO化是最重要的修饰之一,因为其已知的细胞功能包括转录调控、蛋白质稳定性和蛋白质亚细胞定位。尽管其很重要,但通过实验方法确定SUMO化位点既耗时又昂贵。这导致对能够准确确定蛋白质中SUMO化位点的快速计算方法有很大需求。在本研究中,我们提出了一种名为SumSec的基于机器学习的预测SUMO化位点的新方法。为此,我们利用氨基酸的预测二级结构从蛋白质序列中的相邻氨基酸提取两种类型的结构特征,这在以前的这项任务中从未被使用过。结果,我们提出的方法能够增强SUMO化位点预测任务,优于文献中先前提出的方法。SumSec表现出高灵敏度(0.91)、准确度(0.94)和马修斯相关系数(0.88)。本研究中实现的预测准确度比先前研究报告的准确度高21%。脚本和提取的特征可在以下网址公开获取:https://github.com/YosvanyLopez/SumSec。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7c1b/6320791/b9fd65d6018d/molecules-23-03260-g001.jpg

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