The BMRB as an evolving resource for biomolecular structure-function research

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PROJECT SUMMARY/ABSTRACT The BioMagResBank (BMRB) is the unique worldwide resource that provides free access to the wealth of information on biomolecules derived from nuclear magnetic resonance (NMR) spectroscopy. These NMR experimental data underlie the three-dimensional structures and conformations of many proteins and nucleic acids and provide important insights into their dynamics, chemical properties, and molecular interactions. BMRB maintains an open architecture and a defined and flexible data model that makes it possible to respond rapidly to changes in standards for data exchange and to the steady advances in NMR technology (greater variety of archived data and increasingly detailed associated metadata). Data archived at BMRB include primary data sets (time-domain data) acquired under defined conditions and derived results, such as chemical shifts, peak intensities, scalar couplings, dipolar couplings, relaxation rates, and cross relaxations. These parameters provide information on molecular properties such as conformation, dynamics, ligand interactions, pKa values, and hydrogen exchange rates. BMRB integrates these NMR data into a unified, global, macromolecular structure database of general utility to the broad scientific community. The growing volume and diversity of data available from BMRB are catalyzing transformative scientific applications, such as the determination of protein structure and dynamics directly from chemical shifts. BMRB and its collaborators develop improved software tools for integrating the retrieval, analysis, and display of NMR data in the context of molecular structure and conformation. As a member of the World Wide Protein Data Bank (wwPDB), BMRB has close ties with the three other wwPDB partners: the Research Collaboratory for Structural Bioinformatics (RCSB), the Protein Data Bank in Europe (PDBe), and the Protein Data Bank of Japan (PDBj). In its role in the wwPDB BMRB sets standards for NMR data types and develops software for data deposition and validation. The funds requested will enable BMRB (1) to expand the diversity and level of coverage of biomolecular NMR data in response to community needs, (2) to verify, reformat, archive, and distribute new data submitted electronically, (3) to maintain a productive dialogue with users and creators of biomolecular NMR data, (4) to maintain and strengthen BMRB's role in the wwPDB, (5) to collaborate with databanks specializing in related information so that useful links are created, and (6) to interact with developers of new software and algorithms that make use of biomolecular NMR data.