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bind_sites_ent_bind_sites_id_entity_id_efd81d99

Read-only

Fetch ligand-binding site data for a PDB entity, returning interacting residues, CCD IDs, ligand names, and chain metadata to study protein-ligand interactions.

Instructions

Returns ligand-binding site annotations for a specified PDB entity, including metadata such as Best Chain ID, Scaffold ID, and the total number of protein residues that interact with each ligand (based on ARPEGGIO). For each ligand, the endpoint provides its CCD ID, name, and a list of interacting residues grouped by the Bound Molecule ID they interact with.

Input Schema

TableJSON Schema
NameRequiredDescriptionDefault
pdb_idYes4-character PDB id code. title: Pdb Id description: 4-character PDB id code.
entity_idYesEntity id (molecule number in mmcif-speak). type: string pattern: ^[0-9]+$ title: Entity Id description: Entity id (molecule number in mmcif-speak).

Schema Changelog

Changes observed during successful MCP inspections.

  1. Addedv1.1.10

TDQS

B3.2/5.0
Behavior3/5

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

Annotations already declare the safe read profile (readOnlyHint=true, destructiveHint=false), so the description is not carrying the safety burden. It does add real value by detailing the payload (CCD ID, ligand name, interacting residues grouped by Bound Molecule ID, ARPEGGIO basis), which partially compensates for the absent output schema, but it says nothing about edge cases such as entities with no ligands or invalid entity IDs.

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

Conciseness4/5

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

Two sentences with the purpose front-loaded and output detail second; nothing is wasted. The only minor issue is that the second sentence is dense with field names and reads as a payload inventory rather than crisp prose.

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

Completeness4/5

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

For a two-parameter read-only endpoint with full schema coverage and no output schema, the description covers both the purpose and the shape of the return payload, which is the main missing artifact. It stops short of describing pagination, error behavior, or empty-result handling, keeping it just under fully complete.

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?

Schema description coverage is 100%, so both pdb_id and entity_id are fully documented in the schema (including the numeric pattern for entity_id). The description references 'a specified PDB entity' but adds no format, range, or lookup guidance beyond the schema, so the baseline of 3 applies.

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 states a concrete verb and resource: 'Returns ligand-binding site annotations for a specified PDB entity,' which is specific enough to distinguish from generic annotation tools. However, it never names or contrasts with close siblings such as iface_res_ent_interfaces_id_entity_id or annot_ent_annot_id_entity_id, so an agent cannot route on the description alone.

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?

There is no when-to-use guidance, no stated prerequisites (e.g., needing a valid entity that has bound ligands), and no mention of alternatives like bound_molecules or comp_intx. The agent must infer usage entirely from the purpose sentence.

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