get_bound_molecule_interactions_api_pdb_bound_molecule_inter
Retrieve composition, internal connectivity, and detected interactions (covalent, hydrogen-bond, polar, van der Waals, hydrophobic, atom-plane) for a specified bound molecule in a PDB entry.
Instructions
Returns composition and high-level interactions for a specific Bound Molecule ID (e.g., “bm1”) of a PDB entry ID. This includes its full composition (all covalently linked ligands with their CCD IDs), internal connectivity between those ligands (e.g: [“F1”, “F6”] means bound ligands identified by author_residue_number “1” and “6” in chain_id “F” are covalently bound), and all detected interactions between the bound molecule and surrounding residues or ligands (e.g., covalent, hydrogen-bond, polar, van der Waals, hydrophobic, and atom-plane interactions) calculated for the preferred assembly of the PDB entry.
Input Schema
| Name | Required | Description | Default |
|---|---|---|---|
| pdb_id | Yes | 4-character PDB id code. title: Pdb Id description: 4-character PDB id code. | |
| bm_id | Yes | Bound molecule ID (can be obtained from the output of bound_molecules call) title: Bm Id description: Bound molecule ID (can be obtained from the output of bound_molecules call) |