RCSB Protein Data Bank

RCSB Protein Data Bank curates and distributes archival, annotated structural data for biological macromolecules and Computed Structure Models to support structural biology research.

Key Features:

• Archive stewardship and curation: Serves as the U.S. data center for the Worldwide Protein Data Bank (wwPDB) and maintains curated structural records ensuring data integrity.
• Data holdings: Hosts over 200,000 experimentally-determined macromolecular structures and more than 1 million Computed Structure Models (CSMs) generated using artificial intelligence and machine learning.
• Annotation updates: Integrates weekly updates with functional annotations sourced from external biodata resources.
• Membrane protein annotation: Incorporates annotations from OPM, PDBTM, MemProtMD, and mpstruc, increasing the number of annotated membrane proteins by approximately 80%.
• Search and visualization for membrane proteins: Supports exploration of membrane protein tree hierarchies and visualization at the 1D amino acid sequence level and in 3D, with predicted membrane-layer locations displayed using the Mol* viewer.

Scientific Applications:

• Structural biology research: Provides curated experimental structures and AI/ML-generated CSMs for structural analysis and comparative studies.
• Membrane protein localization and identification: Enables inference of membrane protein presence and predicted locations through integrated annotations from OPM, PDBTM, MemProtMD, and mpstruc.
• Drug target investigation: Supports research on membrane proteins, which represent a substantial fraction of FDA-approved drug targets.

Methodology:

Aggregates weekly functional annotations from external biodata resources; includes Computed Structure Models generated by artificial intelligence and machine learning; integrates membrane annotations from OPM, PDBTM, MemProtMD, and mpstruc; and displays predicted membrane-layer locations via the Mol* viewer.