hybridPBRpred

hybridPBRpred predicts protein-binding residues from protein sequence by combining SCRIBER and disoRDPbind to provide comprehensive PBR identification across structured and intrinsically disordered proteins.


Key Features:

  • Integration of Predictive Models: Combines SCRIBER, trained on structured protein-protein complexes, with disoRDPbind, trained on disordered protein-binding residues, to provide complementary sequence-based predictions.
  • Cross-Over Prediction Capability: Predicts PBRs in both structure-annotated and disorder-annotated proteins, addressing limitations of predictors trained exclusively on structured or disordered datasets.
  • Reduction of Cross-Predictions: Minimizes incorrect predictions to non-protein partners such as nucleic acids and small ligands through selective combination of SCRIBER and disoRDPbind outputs.
  • Benchmarking and Validation: Development and validation were informed by a comparative study using a benchmark dataset with both structure- and disorder-derived annotations and a representative collection of disorder- and structure-trained predictors.

Scientific Applications:

  • Drug discovery: Enables identification of protein-binding residues relevant to mapping interaction sites for therapeutic targeting.
  • Molecular biology: Supports functional studies of protein interactions by annotating binding residues in both structured and disordered regions.
  • Bioinformatics: Provides sequence-based PBR annotations for comparative analyses and integrative computational studies of protein interactions.

Methodology:

Combines outputs from SCRIBER (trained on structured protein-protein complexes) and disoRDPbind (trained on disordered protein-binding residues) to balance and enhance PBR prediction accuracy across different protein types.

Topics

Details

Tool Type:
api
Added:
1/18/2021
Last Updated:
2/1/2021

Operations

Publications

Zhang J, Ghadermarzi S, Kurgan L. Prediction of protein-binding residues: dichotomy of sequence-based methods developed using structured complexes versus disordered proteins. Bioinformatics. 2020;36(18):4729-4738. doi:10.1093/bioinformatics/btaa573. PMID:32860044.

PMID: 32860044
Funding: - National Science Foundation: 1617369 - National Natural Science Foundation of China: 61802329 - Innovation Team Support Plan of University Science and Technology of Henan Province: 19IRTSTHN014