PDBe Get Bound Molecules
Get all bound molecules (ligands, cofactors, drugs) in a PDB structure from the PDBe Graph API. Returns each bound molecule group with its chemical component ID (e.g., HEM for heme, ATP for adenosine triphosphate, REA for retinoic acid), chain location, and entity information. Essential for identifying what small molecules co-crystallized with a protein. Use this to discover ligands in a structure before analyzing binding sites. Example: 4HHB returns 6 bound molecules (4 HEM groups + 2 PO4 grou…
Overview
Get all bound molecules (ligands, cofactors, drugs) in a PDB structure from the PDBe Graph API. Returns each bound molecule group with its chemical component ID (e.g., HEM for heme, ATP for adenosine triphosphate, REA for retinoic acid), chain location, and entity information. Essential for identifying what small molecules co-crystallized with a protein. Use this to discover ligands in a structure before analyzing binding sites. Example: 4HHB returns 6 bound molecules (4 HEM groups + 2 PO4 groups); 1CBS returns REA (retinoic acid).
Schema
JSON Schema the agent (or your API call) must match.
View JSON schemaExpandCollapse
Examples (1)
Default PDBe Get Bound Molecules call
Public-safe example · rate-limited
Identifiers
- Catalog ID
- tu_PDBe_get_bound_molecules
- Tool name
- PDBe_get_bound_molecules
- Added
- 2026-04-30 22:47Z
- Tags
- tooluniverse