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.
Status
The most recent probe succeeded. Safe to call from the agent today.
- Last probed
- 1d ago
- Last success
- 1d ago
- Last latency
- 114ms
Schema
JSON Schema the agent (or your API call) must match.
{
"properties": {
"comp_id": {
"description": "PDB chemical component ID (3-letter code). Examples: 'ATP', 'HEM', 'NAG', 'FAD', 'NAD', 'ZN', 'GOL'. Case-insensitive.",
"type": "string"
}
},
"required": [
"comp_id"
],
"type": "object"
}Examples (1)
Default PDBe Get Compound Structures call
{
"comp_id": ""
}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