ProteinsPlus Profile Structure Quality

Overview

Comprehensive protein structure quality assessment and protein-ligand complex profiling using StructureProfiler. Performs thorough validation of protein structures including geometry checks, stereochemistry analysis, clash detection, and ligand binding site quality assessment. Supports multiple validation settings: 'astex' (Astex diverse set criteria), 'iridium' (Iridium validation), 'platinum' (PlatinumQuality set), or 'combined' (comprehensive analysis). Returns detailed quality reports covering protein structure integrity, active site geometry, ligand binding quality, and structural anomalies. Essential for validating structures before molecular modeling, identifying potential artifacts, and ensuring reliability of structure-based drug design results. Example: Use 'combined' setting on 1KZK to assess overall structure quality before docking studies.

Status

Succeeds, but routinely takes more than 8 seconds. Hidden from the agent's default toolset; available via opt-in.

Note: Upstream throttles to ~5 req/min; not exposed to anonymous Try-It.

Last probed

never

Last success

never

Last latency

—

Schema

JSON Schema the agent (or your API call) must match.

{
  "properties": {
    "pdb_id": {
      "description": "PDB identifier (e.g., '1KZK', '2OZR', '4HHB'). Required.",
      "type": "string"
    },
    "setting": {
      "description": "Validation setting: 'astex' (Astex diverse set criteria), 'iridium' (Iridium validation rules), 'platinum' (PlatinumQuality standards), or 'combined' (all checks). Default: 'combined'. Example: Use 'combined' for thorough validation, 'astex' for docking benchmark standards.",
      "enum": [
        "astex",
        "iridium",
        "platinum",
        "combined"
      ],
      "type": "string"
    }
  },
  "required": [
    "pdb_id"
  ],
  "type": "object"
}

Examples (1)

{
  "pdb_id": "1AKI"
}

Identifiers

Catalog ID

tu_ProteinsPlus_profile_structure_quality

Tool name

ProteinsPlus_profile_structure_quality

Added

2026-04-30 22:47Z

Tags

tooluniverse, slow