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5-Membered NH...N hydrogen bonded molecular scaffold in a model dipeptide containing 3-aminophenylacetic acid: Crystal and solution conformations
Authors:Samir Kumar Maji  D Velmurugan  A Razak  H K Fun and Arindam Banerjee
Institution:(1) Department of Biological Chemistry, Indian Association for the Cultivation of Science, Jadavpur, Calcutta, 700 032, India;(2) Department of Crystallography and Biophysics, University of Madras, Guindy Campus, Madras, 600 025, India;(3) X-ray Crystallography Unit, University Sains, Penang, Malaysia;(4) Department of Biological Chemistry, Indian Association for the Cultivation of Science, Jadavpur, Calcutta, 700 032, India
Abstract:Crystallographic and spectroscopic studies of a model dipeptidecontaining unusual amino acid residues establish the presence ofan intramolecular, 5-membered NH...N hydrogen bond involvingan amide NH (from 3-amino phenyl acetic acid residue) and anamide N atom from an adjacent amino acid residue in solid stateand in solution. The dipeptide also forms an infinite beta-sheet ribbon structure in crystals.
Keywords:Aib  3-aminophenylacetic acid  NH      N hydrogen bonding  peptide  beta-sheet" target="_blank">gif" alt="beta" align="MIDDLE" BORDER="0">-sheet
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