RCSB Protein Data Bank: Delivering integrative structures alongside experimental structures and computed structure...

Area of Science:

• Structural Biology
• Bioinformatics

Background:

• The Protein Data Bank (PDB) archives experimentally determined macromolecular structures.
• The Worldwide Protein Data Bank (wwPDB) manages the PDB, with RCSB PDB serving as the US data center.
• RCSB.org provides access to over 240,000 experimental structures and over 1 million computed structure models (CSMs).

Purpose of the Study:

• To describe the integration of PDB-IHM system for archiving integrative/hybrid methods (IHM) structures.
• To detail the unification of PDB-IHM with the PDB for archiving alongside single-method experimental structures.
• To highlight the expanded capabilities of RCSB.org for accessing and analyzing diverse structural data.

Main Methods:

• Development of the PDB-IHM system by the wwPDB consortium.
• Unification of PDB-IHM data with the main PDB archive.
• Enhancement of RCSB.org to support integrative structures, experimental structures, and CSMs.

Main Results:

• Integrative structures determined by combining multiple experimental and computational techniques are now archived in the PDB.
• RCSB.org facilitates streamlined access to these integrative structures.
• Expanded RCSB.org capabilities enable discovery, analysis, and visualization of integrated structural data.

Conclusions:

• The unification of PDB-IHM with the PDB enhances the comprehensiveness of structural data.
• RCSB.org now offers a unified platform for accessing diverse macromolecular structure data.
• These advancements facilitate broader scientific exploration and discovery in structural biology.