Two-dimensional 1H-NMR study of the spatial structure of neurotoxin II from Naja naja oxiana

摘要: The spatial structure of neurotoxin II from the venom central Asian cobra Naja naja oxiana was determined by two-dimensional 1H-NMR techniques and computational analysis. Nearly complete proton resonance assignments for 61 amino acid residues have been made using (2D) homonuclear total correlated spectroscopy, 2D double-quantum-filtered spectroscopy NOE (NOESY) experiments. cross-peak volumes in NOESY spectra spin-spin coupling constants vicinal protons NH-C alpha H C H-C beta observation slow deuterium exchange amide were used to define local a set constraints distance geometry program DIANA. average root-mean-square deviations are 53 pm backbone heavy atoms 118 all 19 final conformations. is characterized short double-stranded (residues 1-5 13-17) triple-stranded 22-30, 33-41 50-54) antiparallel beta-sheets.