In order to simulate the active centres of pyridoxal enzymes, lanthanide complexes of pyridoxal-dipeptide (gly-asn) azomethines were investigated by means of NMR 1H and optical spectroscopy. NMR spectra were shown to correspond to conformation averaged over two positions of the ion. The ion was bound to the oxygen atom of PL and nitrogen atom of azomethine. In addition, it coordinates the oxygen atom of the peptide bond or the asparagine carboxyl.