Cortexa research tool·structure·rcsb_data

RCSBData Get Nonpolymer Entity

Get non-polymer entity (ligand/small molecule) details from a PDB structure via the RCSB Data API. Returns the chemical name, component ID, formula weight, chain assignments, and any DrugBank or other database annotations. Useful for identifying what ligands, cofactors, or ions are bound in a structure. Example: '4HHB' entity 3 returns 'PROTOPORPHYRIN IX CONTAINING FE' (HEM), the heme group bound to hemoglobin.

Livelast probed 2026-04-30 23:07Z· 99msCortexa

Status

The most recent probe succeeded. Safe to call from the agent today.

Last probed: 1d ago
Last success: 1d ago
Last latency: 99ms

Schema

JSON Schema the agent (or your API call) must match.

{
  "properties": {
    "entity_id": {
      "description": "Entity ID within the PDB entry. Non-polymer entities typically start after the polymer entities. Use pdbe_get_entry_molecules or RCSBGraphQL_get_structure_summary to discover entity IDs.",
      "type": "string"
    },
    "pdb_id": {
      "description": "PDB entry ID (4 characters). Examples: '4HHB' (hemoglobin + heme), '3ERT' (estrogen receptor + tamoxifen), '6LU7' (SARS-CoV-2 + inhibitor).",
      "type": "string"
    }
  },
  "required": [
    "pdb_id",
    "entity_id"
  ],
  "type": "object"
}

Examples (1)

Default RCSBData Get Nonpolymer Entity call

public-safeinput

{
  "entity_id": "",
  "pdb_id": "1AKI"
}

Expected response keys: success

Anonymous-safe example. Rate-limited; no sign-in required.

Identifiers

Catalog ID: tu_RCSBData_get_nonpolymer_entity
Tool name: RCSBData_get_nonpolymer_entity
Added: 2026-04-30 22:47Z
Tags: tooluniverse

RCSBData Get Nonpolymer Entity

Livelast probed 2026-04-30 23:07Z· 99msCortexa

Schema

JSON Schema the agent (or your API call) must match.

{ "properties": { "entity_id": { "description": "Entity ID within the PDB entry. Non-polymer entities typically start after the polymer entities. Use pdbe_get_entry_molecules or RCSBGraphQL_get_structure_summary to discover entity IDs.", "type": "string" }, "pdb_id": { "description": "PDB entry ID (4 characters). Examples: '4HHB' (hemoglobin + heme), '3ERT' (estrogen receptor + tamoxifen), '6LU7' (SARS-CoV-2 + inhibitor).", "type": "string" } }, "required": [ "pdb_id", "entity_id" ], "type": "object" }