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get_protein_structure

Retrieve 3D protein structure information from PDB references using a UniProt accession number to visualize molecular architecture.

Instructions

Retrieve 3D structure information from PDB references

Input Schema

TableJSON Schema
NameRequiredDescriptionDefault
accessionYesUniProt accession number

Implementation Reference

  • The handler function for 'get_protein_structure' tool. Fetches UniProt protein data and extracts PDB cross-references, structural features, and subunit comments.
    private async handleGetProteinStructure(args: any) {
      if (!isValidProteinInfoArgs(args)) {
        throw new McpError(ErrorCode.InvalidParams, 'Invalid protein structure arguments');
      }
    
      try {
        const response = await this.apiClient.get(`/uniprotkb/${args.accession}`, {
          params: { format: 'json' },
        });
    
        const protein = response.data;
        const structureInfo = {
          accession: protein.primaryAccession,
          pdbReferences: protein.uniProtKBCrossReferences?.filter((ref: any) => ref.database === 'PDB') || [],
          structuralFeatures: protein.features?.filter((f: any) =>
            ['Secondary structure', 'Turn', 'Helix', 'Beta strand'].includes(f.type)
          ) || [],
          structuralComments: protein.comments?.filter((c: any) => c.commentType === 'SUBUNIT') || [],
        };
    
        return {
          content: [
            {
              type: 'text',
              text: JSON.stringify(structureInfo, null, 2),
            },
          ],
        };
      } catch (error) {
        return {
          content: [
            {
              type: 'text',
              text: `Error fetching protein structure: ${error instanceof Error ? error.message : 'Unknown error'}`,
            },
          ],
          isError: true,
        };
      }
    }
  • Input schema for the 'get_protein_structure' tool, defining the required 'accession' parameter.
    // Structure & Function Analysis Tools
    {
      name: 'get_protein_structure',
      description: 'Retrieve 3D structure information from PDB references',
      inputSchema: {
        type: 'object',
        properties: {
          accession: { type: 'string', description: 'UniProt accession number' },
        },
        required: ['accession'],
      },
  • src/index.ts:748-749 (registration)
    Registration of the tool handler in the CallToolRequestSchema switch statement.
    case 'get_protein_structure':
      return this.handleGetProteinStructure(args);
  • Helper validation function used by 'get_protein_structure' to validate input arguments.
    const isValidProteinInfoArgs = (
      args: any
    ): args is { accession: string; format?: string } => {
      return (
        typeof args === 'object' &&
        args !== null &&
        typeof args.accession === 'string' &&
        args.accession.length > 0 &&
        (args.format === undefined || ['json', 'tsv', 'fasta', 'xml'].includes(args.format))
      );
    };
Behavior2/5

Does the description disclose side effects, auth requirements, rate limits, or destructive behavior?

No annotations are provided, so the description carries the full burden of behavioral disclosure. It mentions retrieving information but lacks details on permissions, rate limits, error handling, or response format. For a tool with no annotation coverage, this is a significant gap in transparency.

Agents need to know what a tool does to the world before calling it. Descriptions should go beyond structured annotations to explain consequences.

Conciseness5/5

Is the description appropriately sized, front-loaded, and free of redundancy?

The description is a single, efficient sentence that directly states the tool's purpose without unnecessary words. It is appropriately sized and front-loaded, making it easy to understand quickly.

Shorter descriptions cost fewer tokens and are easier for agents to parse. Every sentence should earn its place.

Completeness2/5

Given the tool's complexity, does the description cover enough for an agent to succeed on first attempt?

Given the lack of annotations and output schema, the description is incomplete. It does not explain what '3D structure information' entails (e.g., coordinates, formats) or behavioral aspects like data sources or limitations, leaving gaps for effective tool use in a complex domain.

Complex tools with many parameters or behaviors need more documentation. Simple tools need less. This dimension scales expectations accordingly.

Parameters3/5

Does the description clarify parameter syntax, constraints, interactions, or defaults beyond what the schema provides?

The input schema has 100% description coverage, with the parameter 'accession' documented as a 'UniProt accession number'. The description does not add any additional meaning beyond this, such as format examples or constraints, so it meets the baseline for high schema coverage without compensating further.

Input schemas describe structure but not intent. Descriptions should explain non-obvious parameter relationships and valid value ranges.

Purpose4/5

Does the description clearly state what the tool does and how it differs from similar tools?

The description clearly states the action ('Retrieve') and resource ('3D structure information from PDB references'), making the purpose understandable. However, it does not explicitly differentiate this tool from siblings like 'get_protein_info' or 'get_protein_features', which might also provide structural data, leaving some ambiguity about uniqueness.

Agents choose between tools based on descriptions. A clear purpose with a specific verb and resource helps agents select the right tool.

Usage Guidelines2/5

Does the description explain when to use this tool, when not to, or what alternatives exist?

The description provides no guidance on when to use this tool versus alternatives. With many sibling tools available, such as 'get_protein_info' or 'search_proteins', there is no indication of specific contexts, prerequisites, or exclusions for choosing this tool over others.

Agents often have multiple tools that could apply. Explicit usage guidance like "use X instead of Y when Z" prevents misuse.

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