{
  "Data": {
    "pdb_id": "2zu5",
    "coordinates_revision_date_pdb": null,
    "coordinates_revision_major_mmCIF": "1",
    "coordinates_revision_minor_mmCIF": "5",
    "coordinates_edited": false,
    "reflections_revision": "1_1",
    "reflections_edited": false,
    "pdb_redo_version": "8.13",
    "pdb_redo_used": true
  },
  "Ligand_validation_data": [
    {
      "asymID": "B",
      "compID": "ZU5",
      "seqID": 0,
      "pdb": {
        "compID": "ZU5",
        "insCode": "",
        "seqNum": 2001,
        "strandID": "A"
      },
      "added": false,
      "all_atom_rmsd_in_A": 0.2341,
      "atoms_shifted_more_than_0.5A": 1,
      "original_model": {
        "density_fit": {
          "real_space_Rfactor": 0.083,
          "real_space_correlation": 0.939,
          "EDIAm_density_fit": 0.947,
          "OPIA_density_coverage": 86.667
        },
        "heat_of_formation": {
          "energy": 1191.688,
          "energy_unit": "kJ/mol"
        },
        "interactions": {
          "bumps_count": 15.0,
          "H_bonds_count": 9.0,
          "H_bonds_strength": -155.38,
          "H_bonds_unit": "kJ/mol",
          "hydrophobic_count": 33.0,
          "hydrophobic_strength": 29.332,
          "hydrophobic_unit": "knowledge_based_potential",
          "pi_pi_count": 0,
          "pi_pi_strength": null,
          "pi_pi_unit": "knowledge_based_potential",
          "cation_pi_count": 0,
          "cation_pi_strength": null,
          "cation_pi_unit": "knowledge_based_potential"
        }
      },
      "pdb_redo_model": {
        "density_fit": {
          "real_space_Rfactor": 0.055,
          "real_space_correlation": 0.974,
          "EDIAm_density_fit": 0.963,
          "OPIA_density_coverage": 88.889
        },
        "heat_of_formation": {
          "energy": 181.089,
          "energy_unit": "kJ/mol"
        },
        "interactions": {
          "bumps_count": 12.0,
          "H_bonds_count": 8.0,
          "H_bonds_strength": -153.8,
          "H_bonds_unit": "kJ/mol",
          "hydrophobic_count": 32.0,
          "hydrophobic_strength": 28.929,
          "hydrophobic_unit": "knowledge_based_potential",
          "pi_pi_count": 0,
          "pi_pi_strength": null,
          "pi_pi_unit": "knowledge_based_potential",
          "cation_pi_count": 0,
          "cation_pi_strength": null,
          "cation_pi_unit": "knowledge_based_potential"
        }
      }
    }
  ]
}