SummaryThe nonapeptide Leuprorelin, one of the LHRH agonists, was studied by means of 2D nuclear magnetic resonance spectroscopy and molecular modeling. NOESY spectra in aqueous/deuterated methanol solution (50% H20/CD3OD) at low temperature (268 K) revealed short-range nOe connectivities (i, i+l), characteristic of flexibility of the molecule. The HN-H N sequential connectivities observed provide evidence that the sequence has the propensity to form a bend involving residues 5 and 6 and the N-terminal segment. The a-proton chemical shifts compared to random coil and additional data from the amide proton temperature coefficients support this assumption. One long-range nOe cross peak between H~-H NEth is indicative of proximity between C-and N-termini.
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