ProBiS-Dock Database

ProBiS-Dock Database provides systematic identification and analysis of small ligand–protein binding sites across Protein Data Bank (PDB) structures to support drug discovery.

Key Features:

• Extensive Binding Site Database: Contains over 1.4 million identified small-ligand binding sites.
• PDB-wide coverage: Aggregates and analyzes protein structures from the Protein Data Bank (PDB).
• Systematic binding site identification: Determines various types of binding sites for small ligands across proteins.
• Binding site ranking and prioritization: Ranks binding sites based on their potential utility for drug development.
• Cross-species target analysis: Enables investigation of potential drug targets across different biological species.
• Binding site categorization and analysis: Analyzes and categorizes binding sites to aid structural interpretation of ligand–protein interactions.

Scientific Applications:

• Drug target identification: Identifies and prioritizes small-molecule binding sites as potential therapeutic targets.
• Lead prioritization: Ranks binding sites to guide selection of promising sites for drug development efforts.
• Comparative target discovery: Supports cross-species comparison of binding sites for translational and comparative research.
• Structural analysis of ligand–protein interactions: Provides structural contexts for understanding small-molecule binding modes.

Methodology:

Systematic identification and categorization of small-ligand binding sites by analyzing protein structures aggregated from the Protein Data Bank (PDB).