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Conformational studies of a benzodiazepine-like peptide in SDS micelles by circular dichroism, 1H NMR and molecular dynamics simulation
Authors:Marc Lecouvey  Céline Frochot  Laurent Miclo  Piotr Orlewski  Michel Marraud  Jean-Luc Gaillard  Manh Thong Cung  Régis Vanderesse
Institution:(1) LCPM, CNRS-URA 494, ENSIC-INPL, BP 451, F-54001 Nancy Cedex, France;(2) LBSA, Unité associé à l'INRA, Université Henri Poincaré, BP 239, F-54506 Vandœuvre lès Nancy Cedex, France
Abstract:Summary The conformation of a benzodiazepine-like decapeptide corresponding to the YLGYLEQLLR fragment of a casein has been examined in a sodium dodecyl sulfate micellar medium using circular dichroism, two-dimensional1H NMR spectroscopy and restrained molecular dynamics simulation. The decapeptide adopts an amphipathic 310-helicoid structure in which the E6...R10 ionic bridge stabilizes the C-terminus.
Keywords:Benzodiazepines  Circular dichroism  GABAA receptor  Micellar medium  Molecular dynamics  2D NMR
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