External NMR resources

The following are NMR resources, with which PDBe has close collaborations.

  • BMRB: Biological Magnetic Resonance Bank is the primary repository of experimental NMR data, such as chemical shifts.
  • NRG: NMR Restraints Grid is hosted at the BMRB and provides remediated and standardised NMR restraints used in structure determination.
  • NRG-CING is a database of CING validation reports generated on the basis of the NRG restraints.
  • CCPN: the Collaborative Computing Project for NMR developed the CCPN data model and software, which underlie the majority of NMR-related programming work at PDBe.

PDBe has also collaborated with or provided data for the following projects:

  • CASD-NMR (Critical Assessment of Automated Structure Determination of Proteins from NMR Data) is a methods-development project for blind testing the current automated tools for NMR structure determination.
  • DRESS: Database of Refined Solution NMR Structures is a small set of NMR structures from the PDB, which were re-refined in explicit aqueous solution.
  • CAMCOIL is a webservice for prediction of random coil chemical shifts of proteins.
  • FormatConverter: a webservice that can read NMR data files (e.g. shifts, restraints) into the CCPN framework and write out NMR data files from the CCPN framework.