PDBe Get Compound Structures
Get PDB structures containing a specific chemical compound (ligand/cofactor/ion). Returns compound details and a list of PDB entry IDs where the compound appears. Useful for finding all crystal structures with a drug or cofactor bound, studying binding site diversity, or identifying protein targets of a compound. Example: 'ATP' appears in thousands of PDB structures (kinases, ATPases, motor proteins); 'HEM' appears in hemoglobins, cytochromes, peroxidases; 'NAG' (N-acetylglucosamine) appears in…
Overview
Get PDB structures containing a specific chemical compound (ligand/cofactor/ion). Returns compound details and a list of PDB entry IDs where the compound appears. Useful for finding all crystal structures with a drug or cofactor bound, studying binding site diversity, or identifying protein targets of a compound. Example: 'ATP' appears in thousands of PDB structures (kinases, ATPases, motor proteins); 'HEM' appears in hemoglobins, cytochromes, peroxidases; 'NAG' (N-acetylglucosamine) appears in glycoproteins.
Schema
JSON Schema the agent (or your API call) must match.
Examples (1)
Default PDBe Get Compound Structures call
Anonymous-safe example. Rate-limited; no sign-in required.
Identifiers
- Catalog ID
- tu_PDBe_get_compound_structures
- Tool name
- PDBe_get_compound_structures
- Added
- 2026-04-30 22:47Z
- Tags
- tooluniverse