Department of Information and Computing Science, University of Science and Technology Beijing, Beijing, 100083, China.
Institute of Computing Technology, Chinese Academy of Sciences, Beijing, 100190, China.
BMC Bioinformatics. 2019 Feb 18;20(1):86. doi: 10.1186/s12859-019-2677-9.
Protein ubiquitination occurs when the ubiquitin protein binds to a target protein residue of lysine (K), and it is an important regulator of many cellular functions, such as signal transduction, cell division, and immune reactions, in eukaryotes. Experimental and clinical studies have shown that ubiquitination plays a key role in several human diseases, and recent advances in proteomic technology have spurred interest in identifying ubiquitination sites. However, most current computing tools for predicting target sites are based on small-scale data and shallow machine learning algorithms.
As more experimentally validated ubiquitination sites emerge, we need to design a predictor that can identify lysine ubiquitination sites in large-scale proteome data. In this work, we propose a deep learning predictor, DeepUbi, based on convolutional neural networks. Four different features are adopted from the sequences and physicochemical properties. In a 10-fold cross validation, DeepUbi obtains an AUC (area under the Receiver Operating Characteristic curve) of 0.9, and the accuracy, sensitivity and specificity exceeded 85%. The more comprehensive indicator, MCC, reaches 0.78. We also develop a software package that can be freely downloaded from https://github.com/Sunmile/DeepUbi .
Our results show that DeepUbi has excellent performance in predicting ubiquitination based on large data.
蛋白质泛素化发生在泛素蛋白与赖氨酸(K)的靶蛋白残基结合时,它是真核生物中许多细胞功能(如信号转导、细胞分裂和免疫反应)的重要调节剂。实验和临床研究表明,泛素化在几种人类疾病中起着关键作用,蛋白质组学技术的最新进展激发了鉴定泛素化位点的兴趣。然而,目前大多数用于预测靶位点的计算工具都是基于小规模数据和浅层机器学习算法。
随着越来越多经过实验验证的泛素化位点的出现,我们需要设计一个能够在大规模蛋白质组数据中识别赖氨酸泛素化位点的预测器。在这项工作中,我们提出了一种基于卷积神经网络的深度学习预测器 DeepUbi。从序列和物理化学性质中采用了四种不同的特征。在 10 折交叉验证中,DeepUbi 的 AUC(接收器工作特征曲线下的面积)为 0.9,准确率、灵敏度和特异性均超过 85%。更全面的指标 MCC 达到 0.78。我们还开发了一个软件包,可以从 https://github.com/Sunmile/DeepUbi 上免费下载。
我们的结果表明,DeepUbi 在基于大数据预测泛素化方面具有优异的性能。