PDBe Get Structure Ligands
Get all ligands (drug-like molecules, cofactors, ions) bound in a PDB crystal structure. Returns chemical component IDs, names, molecular weights, chain assignments, and drug-likeness annotations with interacting protein entity information. Essential for studying protein-ligand interactions, identifying bound drugs/inhibitors, or analyzing binding site occupancy. Example: '4hhb' returns 6 HEM (heme) ligands bound to hemoglobin alpha and beta chains; '3ert' returns 4-hydroxytamoxifen (OHT, 387 D…
Overview
Get all ligands (drug-like molecules, cofactors, ions) bound in a PDB crystal structure. Returns chemical component IDs, names, molecular weights, chain assignments, and drug-likeness annotations with interacting protein entity information. Essential for studying protein-ligand interactions, identifying bound drugs/inhibitors, or analyzing binding site occupancy. Example: '4hhb' returns 6 HEM (heme) ligands bound to hemoglobin alpha and beta chains; '3ert' returns 4-hydroxytamoxifen (OHT, 387 Da) bound to estrogen receptor alpha; '1m17' returns erlotinib bound to EGFR kinase domain.
Status
The most recent probe succeeded. Safe to call from the agent today.
- Last probed
- 1d ago
- Last success
- 1d ago
- Last latency
- 106ms
Schema
JSON Schema the agent (or your API call) must match.
{
"properties": {
"pdb_id": {
"description": "PDB entry ID (4-character code). Examples: '4hhb' (hemoglobin), '3ert' (estrogen receptor + tamoxifen), '1m17' (EGFR + erlotinib), '6lu7' (SARS-CoV-2 main protease + inhibitor). Case-insensitive.",
"type": "string"
}
},
"required": [
"pdb_id"
],
"type": "object"
}Examples (1)
Default PDBe Get Structure Ligands call
{
"pdb_id": "1AKI"
}Anonymous-safe example. Rate-limited; no sign-in required.
Identifiers
- Catalog ID
- tu_PDBe_get_structure_ligands
- Tool name
- PDBe_get_structure_ligands
- Added
- 2026-04-30 22:47Z
- Tags
- tooluniverse