Biological Magnetic Resonance Data Bank

NIH RePORTER · NIH · R24 · $751,767 · view on reporter.nih.gov ↗

Abstract

The Biological Magnetic Resonance Data Bank (BMRB) is the unique worldwide resource that provides free access to the wealth of information on biomolecules derived from nuclear magnetic resonance (NMR) spectroscopy. As a member of the Worldwide 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 is the designated archive for all NMR-related experimental data, implementation of standards for NMR data types, and development and maintenance of software for data deposition and validation. 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. NMR is also useful for characterizing biomolecular interactions, with applications to drug discovery, and in quantifying the components of complex mixtures of biomolecules, including metabolites and natural products. 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), and derived results such as chemical shifts, peak intensities, scalar couplings, dipolar couplings, and relaxation and cross-relaxation rates. BMRB integrates these NMR data into a unified, global, molecular 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. The funds requested will enable BMRB to streamline operations, enhance sustainability, expand the diversity and level of coverage of biomolecular NMR data in response to community needs, and improve the findability, accessibility, interoperability, and reusability (FAIR) aspects of the archive. Operational efficiencies in verifying, reformatting, archiving, and distribution of new data, and continued productive interaction with users and creators of biomolecular NMR data is expected to increase the impact of the archive, and to facilitate collaboration with databanks specializing in related information so that useful connections are established.

Key facts

NIH application ID
10714470
Project number
1R24GM150793-01
Recipient
UNIVERSITY OF CONNECTICUT SCH OF MED/DNT
Principal Investigator
JEFFREY C HOCH
Activity code
R24
Funding institute
NIH
Fiscal year
2023
Award amount
$751,767
Award type
1
Project period
2023-09-20 → 2028-06-30