H. Ponstingl et G. Otting, DETECTION OF PROTEIN-LIGAND NOES WITH SMALL, WEAKLY BINDING LIGANDS BY COMBINED RELAXATION AND DIFFUSION FILTERING, Journal of biomolecular NMR, 9(4), 1997, pp. 441-444
The use of a diffusion filter is proposed to suppress the NMR signals
of small organic compounds in the presence of macromolecules. Combined
with a spin-echo relaxation filter, the diffusion filter enables the
selective and simultaneous detection of intermolecular solvent-protein
NOEs in a straightforward two-dimensional NOESY experiment. Using the
intermolecular NOEs observed between N,N-dimethylformamide (DMF) and
hen egg-white lysozyme in an aqueous solution containing 2 M DMF, the
binding of DMF at the specificity-determining substrate binding site C
of the enzyme was modelled.