ligand

Active

declared in 0.1.0

"Ligand / cofactor / drug bound to [pdb_id]" / "small molecule in [PDB entry]" — fetch a non-polymer ligand record (small molecule, cofactor, ion, or bound drug) for a PDB entry. Use to inspect what's bound in a co-crystal structure — common in drug discovery / SBDD.

Parameters schema

{
  "type": "object",
  "examples": [
    {
      "pdb_id": "1abc",
      "ligand_id": "ATP"
    }
  ],
  "required": [
    "pdb_id",
    "ligand_id"
  ],
  "properties": {
    "pdb_id": {
      "type": "string"
    },
    "ligand_id": {
      "type": "string"
    }
  }
}

What this tool wraps· 1 endpoint

min confidence0.70 0.50

Data resourceRCSB PDB Data API
RCSB · science
schema key0.85

Parent server

mcp-rcsb-pdb

https://github.com/pipeworx-io/mcp-rcsb-pdb

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