posex_set/astex_diverse_set/1K3U_IAD/1K3U_IAD.json

{
  "sequences": [
    {
      "protein": {
        "id": [
          "AA",
          "AB"
        ],
        "sequence": "MERYENLFAQLNDRREGAFVPFVTLGDPGIEQSLKIIDTLIDAGADALELGVPFSDPLADGPTIQNANLRAFAAGVTPAQCFEMLALIREKHPTIPIGLLMYANLVFNNGIDAFYARCEQVGVDSVLVADVPVEESAPFRQAALRHNIAPIFICPPNADDDLLRQVASYGRGYTYLLSRSGVTGAENRGALPLHHLIEKLKEYHAAPALQGFGISSPEQVSAAVRAGAAGAISGSAIVKIIEKNLASPKQMLAELRSFVSAMKAASRA"
      }
    },
    {
      "protein": {
        "id": [
          "BA",
          "BB"
        ],
        "sequence": "TTLLNPYFGEFGGMYVPQILMPALNQLEEAFVSAQKDPEFQAQFADLLKNYAGRPTALTKCQNITAGTRTTLYLKREDLLHGGAHKTNQVLGQALLAKRMGKSEIIAETGAGQHGVASALASALLGLKCRIYMGAKDVERQSPNVFRMRLMGAEVIPVHSGSATLKDACNEALRDWSGSYETAHYMLGTAAGPHPYPTIVREFQRMIGEETKAQILDKEGRLPDAVIACVGGGSNAIGMFADFINDTSVGLIGVEPGGHGIETGEHGAPLKHGRVGIYFGMKAPMMQTADGQIEESYSISAGLDFPSVGPQHAYLNSIGRADYVSITDDEALEAFKTLCRHEGIIPALESSHALAHALKMMREQPEKEQLLVVNLSGRGDKDIFTVHDILKARGEI"
      }
    },
    {
      "ligand": {
        "id": "Z",
        "smiles": "O=C(O)C[C@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)O"
      }
    }
  ],
  "name": "1K3U_IAD",
  "modelSeeds": [
    42
  ],
  "dialect": "alphafold3",
  "version": 1
}