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Updated: Jun 29, 2026

Computational Prediction of Amino Acid Preferences of Potentially Multispecific Peptide-Binding Domains Involved in Protein-Protein Interactions
Published on: January 26, 2024
PiSite: a database of protein interaction sites using multiple binding states in the PDB
Miho Higurashi1, Takashi Ishida, Kengo Kinoshita
1Institute of Medical Science, University of Tokyo, 4-6-1 Shirokanedai, Minato-ku, Tokyo 108-8639, Japan.
PiSite is a new database that identifies protein-protein interaction sites by analyzing multiple protein complexes. This resource aids in understanding proteins with various binding states and partners.
Area of Science:
- Structural Biology
- Bioinformatics
- Computational Biology
Background:
- The Protein Data Bank (PDB) contains extensive structural data for numerous protein complexes.
- Identifying protein-protein interaction sites is challenging for proteins with multiple binding states or partners, like hub proteins.
- A single protein complex structure is often insufficient for comprehensive interaction site analysis.
Purpose of the Study:
- To develop a comprehensive database, PiSite, for identifying protein-protein interaction sites at the residue level.
- To account for multiple binding states and partners of proteins by analyzing all relevant complexes in the PDB.
- To provide an accessible tool for visualizing and analyzing protein-protein interaction interfaces.
Main Methods:
- Mapping binding sites from all available Protein Data Bank (PDB) complexes for a given protein.
- Developing web interfaces with interactive viewers for visual exploration of binding modes.
- Aggregating data to identify proteins with multiple binding partners and states.
Main Results:
- PiSite provides residue-level protein-protein interaction site information considering multiple complexes.
- The database features interactive visualization tools for examining different binding modes.
- Users can download all data for further in-depth analysis.
- PiSite offers statistics on protein-protein interfaces and lists proteins with complex binding behaviors.
Conclusions:
- PiSite offers a valuable resource for understanding complex protein interactions by integrating data from multiple structures.
- The database facilitates the identification of interaction sites for proteins with diverse binding capabilities.
- PiSite enhances research in structural biology and bioinformatics by providing accessible and comprehensive interaction data.
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