PMID: 9434122Jan 20, 1998Paper

Solution structure of alpha-conotoxin MI determined by 1H-NMR spectroscopy and molecular dynamics simulation with the explicit solvent water

Biochimica Et Biophysica Acta
H GoudaS Hirono

Abstract

The conformation of alpha-conotoxin MI, a potent antagonist of the nicotinic acetylcholine receptor, has been investigated in aqueous solution. Two-dimensional NMR experiments and simulated annealing calculations provide the overall topology of alpha-conotoxin MI; then molecular dynamics simulation with the explicit solvent water was followed in order to obtain a more reliable solution structure. The resulting conformation indicates the presence of a 3(10) helix and a type I beta-turn for residues Pro6-Cys8 and Gly9-Try12, respectively, and shows a significant structural similarity to that of alpha-conotoxin GI, which has biological activity similar to that of MI. The present study provides a molecular basis for the alpha-conotoxin-receptor interaction.

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Citations

Jun 3, 1999·Biochimica Et Biophysica Acta·H Gouda, S Hirono
Nov 25, 2000·The International Journal of Biochemistry & Cell Biology·H R Arias, M P Blanton
Jun 29, 2000·Annual Review of Biochemistry·J M McIntoshB M Olivera
Apr 18, 2014·Biophysical Journal·Dylan T MurrayTimothy A Cross
Jun 21, 2015·Journal of Theoretical Biology·Maryam Hamzeh-MivehroudSiavoush Dastmalchi
May 29, 2016·Journal of Theoretical Biology·Z GhanbariM Izadyar
Dec 26, 2012·Molecular Aspects of Medicine·Ferdinando Palmieri
Jan 7, 2005·Journal of Peptide Science : an Official Publication of the European Peptide Society·Axel SchulzKnut Adermann
Mar 6, 2019·Marine Drugs·Rachael A MansbachS Gnanakaran
Jul 8, 1999·Journal of Medicinal Chemistry·J GehrmannD J Craik
Sep 2, 2021·Chemistry & Biodiversity·Zoltán FaragóBéla Noszál

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