Protein Contacts Atlas

Protein Contacts Atlas maps non-covalent contacts from over 100,000 Protein Data Bank (PDB) crystal structures to enable analysis of biomolecular interactions across atoms, residues, secondary structures, subunits, and complexes.

Key Features:

• Non-Covalent Contacts Visualization: Emphasizes non-covalent interactions that underpin physiological processes, pathogenesis, and drug action.
• Multi-scale Representations: Provides analyses at atomic, residue, secondary-structure, subunit, and whole-complex levels.
• PDB-derived Dataset: Uses a comprehensive collection of over 100,000 crystal structures from the Protein Data Bank (PDB) to compile contacts.
• Interface and Protein–Ligand Contacts: Includes characterization of subunit interfaces and protein–ligand contacts within structures.
• External Data Mapping: Supports mapping of external information onto contact representations for integrative analysis.

Scientific Applications:

• Allostery Interpretation: Enables examination of contact networks to interpret allosteric mechanisms.
• Disease Mutations and Polymorphisms Analysis: Facilitates assessment of how mutations and polymorphisms alter non-covalent contacts in protein structures.
• Hypothesis Generation and Communication: Produces visual representations of contact networks to generate structural hypotheses and communicate findings.

Methodology:

The resource compiles a database of non-covalent contacts derived from PDB crystal structures and integrates multiple visualization techniques for analysis at different structural levels.