{
  "target": "FMN riboswitch \u2014 apo\u2192holo cross-validation",
  "apo_pdb": "6WJR",
  "holo_pdb": "3F2Q",
  "ligand": "FMN (flavin mononucleotide)",
  "citation": "Serganov, Huang & Patel, Nature 458:233 (2009)",
  "mode": "PDB-upload (apo crystal in) \u00b7 ANM 5-frame ensemble \u00b7 fpocket \u00b7 geometric ranker",
  "apo_holo_backbone_rmsd_a": 2.46,
  "fmn_binding_site_residues": [
    10,
    11,
    12,
    31,
    32,
    33,
    41,
    48,
    49,
    61,
    62,
    63,
    83,
    84,
    85,
    93,
    98,
    99
  ],
  "detected_pocket": {
    "cluster_id": 8,
    "centroid_to_fmn_centroid_a": 2.72,
    "centroid_to_nearest_fmn_atom_a": 0.63,
    "residue_overlap_pct": 50.0,
    "recovery": "strict (>=50%)",
    "persistence_frames": "2/5",
    "geometric_rank": 6,
    "fpocket_druggability": 0.01
  },
  "decoy_pocket": {
    "cluster_id": 0,
    "geometric_rank": 1,
    "fpocket_druggability": 0.752,
    "residue_overlap_pct": 5.6,
    "centroid_to_nearest_fmn_atom_a": 12.53
  }
}