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Author:

Sun, Xiaohan (Sun, Xiaohan.) | Wu, Zhixiang (Wu, Zhixiang.) | Su, Jingjie (Su, Jingjie.) | Li, Chunhua (Li, Chunhua.) (Scholars:李春华)

Indexed by:

EI Scopus SCIE

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.

Keyword:

Binding site prediction Protein-protein/peptide interactions Graph Attention Network

Author Community:

  • [ 1 ] [Sun, Xiaohan]Beijing Univ Technol, Coll Chem & Life Sci, Beijing 100124, Peoples R China
  • [ 2 ] [Wu, Zhixiang]Beijing Univ Technol, Coll Chem & Life Sci, Beijing 100124, Peoples R China
  • [ 3 ] [Su, Jingjie]Beijing Univ Technol, Coll Chem & Life Sci, Beijing 100124, Peoples R China
  • [ 4 ] [Li, Chunhua]Beijing Univ Technol, Coll Chem & Life Sci, Beijing 100124, Peoples R China

Reprint Author's Address:

  • [Li, Chunhua]Beijing Univ Technol, Coll Chem & Life Sci, Beijing 100124, Peoples R China;;

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Source :

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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