Get Binding Sites
GetBindingSitesMap binding sites in a protein structure from co-crystallized ligands. Identify and classify pockets, filter artifacts, assess druggability, and recommend modalities for drug-target triage.
Instructions
Map all known binding sites in a protein structure from co-crystallized ligands.
Identifies binding pockets by analyzing non-polymer entities (ligands, cofactors) in the structure, filtering out crystallization artifacts (glycerol, PEG, sulfate, etc.), and classifying each site by type.
Each site includes druggability assessment and modality recommendations:
Small deep pockets (< 20 contact residues) favor small molecules
Large flat interfaces (> 30 residues) favor biologics or de novo protein binders
Allosteric sites may offer selectivity advantages over orthosteric sites
Call this on specific PDB IDs identified by GetRelatedStructures. For comprehensive analysis, call on multiple structures with different co-crystallized ligands to build a complete pocket map.
Input Schema
| Name | Required | Description | Default |
|---|---|---|---|
| pdb_id | Yes |
Output Schema
| Name | Required | Description | Default |
|---|---|---|---|
No arguments | |||