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Updated: Jun 12, 2026

Structure and Coordination Determination of Peptide-metal Complexes Using 1D and 2D 1H NMR
Published on: December 16, 2013
Solution conformation of endothelin-3 by (1)H NMR and distance geometry calculations
P Bortmann1, J Hoflack, J T Pelton
1Merrell Dow Research Institute, 16, rue d'Ankara, Strasbourg, France.
Abstract:
Endothelin-3 dissolved in 10% aqueous acetic acid was studied by nuclear magnetic resonance spectroscopy. A total of 363 distances (143 intra-residue, 108 sequential and 112 long range) was compiled from the nuclear Overhauser effect spectra and used in distance geometry calculations. The molecule assumes a compact conformation stabilized by hydrophobic interactions of the side chains. There is a helix-like structure between the residues 9-15 and an extended strand at the N-terminus. The C-terminus is in close proximity to the bicyclic ring.
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