S-DCNN: prediction of ATP binding residues by deep convolutional neural network based on SMOTE.

Background: The realization of many protein functions requires binding with ligands. As a significant protein-binding ligand, ATP plays a crucial role in various biological processes. Currently, the precise prediction of ATP binding residues remains challenging.

Methods: Based on the sequence information, this paper introduces a method called S-DCNN for predicting ATP binding residues, utilizing a deep convolutional neural network (DCNN) enhanced with the synthetic minority over-sampling technique (SMOTE).

Results: The incorporation of additional feature parameters such as dihedral angles, energy, and propensity factors into the standard parameter set resulted in a significant enhancement in prediction accuracy on the ATP-289 dataset. The S-DCNN achieved the highest Matthews correlation coefficient value of 0.5031 and an accuracy rate of 97.06% on an independent test set. Furthermore, when applied to the ATP-221 and ATP-388 datasets for validation, the S-DCNN outperformed existing methods on ATP-221 and performed comparably to other methods on ATP-388 during independent testing.

Conclusion: Our experimental results underscore the efficacy of the S-DCNN in accurately predicting ATP binding residues, establishing it as a potent tool in the prediction of ATP binding residues.