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Abstract:
Protein-protein/peptide interactions play crucial roles in various biological processes. Exploring their interactions attracts wide attention. However, accurately predicting their binding sites remains a challenging task. Here, we develop an effective model GraphPBSP based on Graph Attention Network with Convolutional Neural Network and Multilayer Perceptron for protein-protein/peptide binding site prediction, which utilizes various feature types derived from protein sequence and structure including interface residue pairwise propensity developed by us and sequence embeddings obtained from a new pre-trained model ProstT5, alongside physicochemical properties and structural features. To our best knowledge, ProstT5 sequence embeddings and residue pairwise propensity are first introduced for protein-protein/peptide binding site prediction. Additionally, we propose a spatial neighbor-based feature statistic method for effectively considering key spatially neighboring information that significantly improves the model's prediction ability. For model training, a multi-scale objective function is constructed, which enhances the learning capability across samples of the same or different classes. On multiple protein-protein/peptide binding site test sets, GraphPBSP outperforms the currently available stateof-the-art methods with an excellent performance. Additionally, its performances on protein-DNA/RNA binding site test sets also demonstrate its good generalization ability. In conclusion, GraphPBSP is a promising method, which can offer valuable information for protein engineering and drug design.
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INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES
ISSN: 0141-8130
Year: 2024
Volume: 282
8 . 2 0 0
JCR@2022
Cited Count:
WoS CC Cited Count: 1
SCOPUS Cited Count: 2
ESI Highly Cited Papers on the List: 0 Unfold All
WanFang Cited Count:
Chinese Cited Count:
30 Days PV: 11
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