BMRB Policy on Small Molecule NMR Structures
In recognition of the fact that scientists have no place to archive information about NMR structures of biomolecules that fall outside the guidelines of the Protein Data Bank (for example small cyclic peptides) the BMRB has developed the following guidelines
BMRB will consider accepting coordinate sets representing three-dimensional structural models provided that the following criteria are met:
- The molecule falls outside the guidelines of the protein data bank (i.e, the molecule is a peptide with 23 or fewer residues, a polynucleotide with 3 or fewer residues, a polysaccharide with 3 or fewer sugar residues, or a natural product)
- The molecule is of biological interest
- The structural model(s) are based on experimental NMR data
- The coordinates are accompanied by:
- A representation of the covalent structure of the molecule (atom connectivity)
- Assigned NMR chemical shifts for the molecule
- Structural restraints used in generating the structural model
For depositions meeting these criteria, BMRB encourages authors to submit their primary (time-domain) data, tables of NOEs, and other relevant information
