School of Transportation Management, Dalian Maritime University, Dalian 116026, China.
China Waterborne Transport Research Institute, Beijing 100088, China.
Molecules. 2018 Nov 27;23(12):3097. doi: 10.3390/molecules23123097.
With the in-depth study of posttranslational modification sites, protein ubiquitination has become the key problem to study the molecular mechanism of posttranslational modification. Pupylation is a widely used process in which a prokaryotic ubiquitin-like protein (Pup) is attached to a substrate through a series of biochemical reactions. However, the experimental methods of identifying pupylation sites is often time-consuming and laborious. This study aims to propose an improved approach for predicting pupylation sites. Firstly, the Pearson correlation coefficient was used to reflect the correlation among different amino acid pairs calculated by the frequency of each amino acid. Then according to a descending ranked order, the multiple types of features were filtered separately by values of Pearson correlation coefficient. Thirdly, to get a qualified balanced dataset, the K-means principal component analysis (KPCA) oversampling technique was employed to synthesize new positive samples and Fuzzy undersampling method was employed to reduce the number of negative samples. Finally, the performance of our method was verified by means of jackknife and a 10-fold cross-validation test. The average results of 10-fold cross-validation showed that the sensitivity (Sn) was 90.53%, specificity (Sp) was 99.8%, accuracy (Acc) was 95.09%, and Matthews Correlation Coefficient (MCC) was 0.91. Moreover, an independent test dataset was used to further measure its performance, and the prediction results achieved the Acc of 83.75%, MCC of 0.49, which was superior to previous predictors. The better performance and stability of our proposed method showed it is an effective way to predict pupylation sites.
随着对翻译后修饰位点的深入研究,蛋白质泛素化已成为研究翻译后修饰分子机制的关键问题。泛酰化是一种广泛使用的过程,其中一个原核泛素样蛋白(Pup)通过一系列生化反应附着在底物上。然而,鉴定泛酰化位点的实验方法通常既耗时又费力。本研究旨在提出一种改进的预测泛酰化位点的方法。首先,使用 Pearson 相关系数来反映通过每个氨基酸的频率计算得到的不同氨基酸对之间的相关性。然后,根据降序排列,通过 Pearson 相关系数的值分别过滤多种类型的特征。第三,为了获得合格的平衡数据集,采用 K-means 主成分分析(KPCA)过采样技术来合成新的阳性样本,采用 Fuzzy 欠采样方法来减少阴性样本的数量。最后,通过 Jackknife 和 10 倍交叉验证测试来验证我们方法的性能。10 倍交叉验证的平均结果表明,敏感性(Sn)为 90.53%,特异性(Sp)为 99.8%,准确性(Acc)为 95.09%,马修斯相关系数(MCC)为 0.91。此外,使用独立的测试数据集进一步衡量其性能,预测结果达到了 Acc 为 83.75%,MCC 为 0.49,优于以前的预测器。我们提出的方法具有更好的性能和稳定性,表明它是一种有效的预测泛酰化位点的方法。