GPCRs

GPCRs provide a comprehensive repository and analytical platform for experimental and computational data on G protein-coupled receptors, supporting sequence, ligand-binding constant, mutation, oligomerization, structural, alignment, and homology analyses.

Key Features:

• Experimental Data Repository: Houses sequences, ligand-binding constants, mutation data, and oligomer formation records for GPCRs.
• Computational Derivatives: Contains multiple sequence alignments and homology models derived from sequence and structural data.
• Visualization and Analysis: Enables analysis of X-ray structural data, binding-site comparisons, receptor profiling, and amino-acid conservation statistics, and provides snake plots and helix box diagram representations.
• Sequence Alignment Tools: Produces alignments for specific subsets of sequences and positions and generates alignment statistics and visualization outputs.
• Structural Data Integration: Integrates GPCR X-ray structure data with sequence and model-based analyses.

Scientific Applications:

• Drug Discovery: Supports structure-based drug design and target identification using ligand-binding and mutation data together with structural models.
• Structural Biology: Facilitates interpretation of GPCR conformations and dynamics by combining X-ray structures with homology models and alignments.
• Evolutionary Studies: Enables tracing of evolutionary relationships and functional conservation via multiple sequence alignments and homology modeling.
• Functional Genomics: Enables investigation of genotype–phenotype relationships and identification of disease-associated variants using mutation datasets.

Methodology:

Multiple sequence alignments; homology modeling; integration and analysis of GPCR X-ray structural data; calculation of amino-acid conservation statistics; binding-site comparison; receptor profiling; generation of sequence alignment statistics and visualizations (snake plots, helix box diagrams).