{
  "title": "Human 5-HT2A receptor and psilocin",
  "created": "2026-11-07",
  "source": {
    "pdb": "9AS8",
    "url": "https://www.rcsb.org/structure/9AS8",
    "coordinates": "https://files.rcsb.org/download/9AS8.pdb",
    "source_sha256": "77f2cc88390182991030aedd7072b35ad9c54897d6b58118a5bb87e39c5b5ead",
    "method": "cryo-electron microscopy",
    "resolution_angstrom": 2.54,
    "publication": "Gumpper et al. (2025). The structural diversity of psychedelic drug actions revealed. Nature Communications 16,2734. https://doi.org/10.1038/s41467-025-57956-7",
    "coordinate_data_licence": "CC0 1.0; https://www.rcsb.org/pages/policies"
  },
  "preparation": {
    "blender": "5.2.3 LTS",
    "molecular_nodes": "520.2.0",
    "three_js": "0.187.0",
    "coordinate_frame": "Source PDB atom coordinates multiplied by 0.01 for Blender. Both MolecularNodes entity and geometry-node unit scale explicitly set to 0.01. Standard Blender Z-up to glTF Y-up conversion; browser applies a single rigid 180-degree Z rotation to the whole model. No independent component translation or docking. Views use independent centring/scales.",
    "verification": "Before cartoon conversion, every imported chain-A/B/C/D atom coordinate checked against the source at Float32 precision; maximum error 0 in that comparison. Psilocin retains the 15 deposited heavy-atom positions. Protein cartoon vertices are a geometric representation, not atom positions.",
    "protein": "MolecularNodes cartoon, quality3, spiral helices, rounded cross-sections. Source secondary-structure annotations and backbone used. No missing atoms or residues modelled.",
    "components": {
      "receptor": "Chain A",
      "galpha": "Chain B; engineered Gi2-mini-Gq chimera",
      "gbeta": "Chain C",
      "ggamma": "Chain D",
      "psilocin": "Component91Q, chainA residue501, C12H16N2O;15heavy atoms/16unique CONECT edges"
    },
    "omissions": "scFv16 stabilising antibody chainE, unresolved regions and membrane lipids are omitted. No membrane plane is inferred.",
    "pocket": {
      "criterion": "Whole receptor residues with at least one heavy atom <=4.0Angstrom from any ligand heavy atom. Some displayed atoms of selected whole residues lie outside the cutoff.",
      "residues": [
        "ASP155",
        "GLY238",
        "PHE234",
        "PHE339",
        "PHE340",
        "SER159",
        "SER242",
        "THR160",
        "TRP336",
        "VAL156"
      ],
      "representation": "Only psilocin and selected residue sticks are loaded for this cutaway; receptor cartoon omitted. Within-residue covalent sticks inferred with covalent radii plus0.4Angstrom tolerance; bond order not illustrated. No intermolecular hydrogen bonds or energies drawn."
    }
  },
  "presentation": {
    "preview": "300unique frames of a full360degree viewpoint rotation over10seconds at30fps; no duplicate endpoint. Same receptor/ligand geometry, camera, orientation, lighting and materials as the first guide view. A still extracted from the encoded desktop first frame aligns with video.",
    "delivery": "H264 MP4960x540 desktop,640x360 mobile; faststart. Preview starts only near viewport. Reduced-motion/low-data preferences use the still. Heavy viewer bundle and models load only when guide is opened; each model loads on its selected slide.",
    "scope": "Structural visualisation, not molecular dynamics, receptor activation, docking, or evidence of downstream brain/telomere/ageing changes. Gq is not asserted to be the only receptor coupling route."
  },
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