What problem does it solve?
GPCR drug discovery requires correlating ligand pharmacology, receptor structures, mutation effects, and antibody interfaces across multiple specialized databases, which is slow and error-prone when done manually. This Skill orchestrates GPCRdb, SAbDab, and PDBePISA queries into structured workflows for structural pharmacology research.
Core Features & Use Cases
- GPCR Pharmacology Profiling: Resolve receptor entry names, retrieve ligands classified by type (agonist, antagonist, biased agonist, allosteric modulator), and map mutation effects using Ballesteros-Weinstein generic numbering.
- Structural Analysis: List available crystal/cryo-EM structures by receptor state (active, inactive, intermediate) and analyze protein interfaces, biological assemblies, and buried surface area with PDBePISA.
- Antibody Structure Retrieval: Search SAbDab by antigen, extract CDR1-3 annotations for VH/VL chains, and compute antibody-antigen interface energetics.
- Use Case: A researcher asks for a complete profile of the GLP-1 receptor. The Skill resolves
glp1r_human, retrieves its ligand landscape and structures, analyzes the best PDB structure's interfaces, and compiles pharmacological mutation data into one report.
Quick Start
Ask the agent to profile the beta-2 adrenergic receptor, listing its known ligands by pharmacological type, available structures, and key mutations affecting ligand binding.
