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KMID : 1059519990430050540
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Journal of the Korean Chemical Society
1999 Volume.43 No. 5 p.540 ~ p.546
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Conformattion of cyclo-[GIn-Trp-Phe-pAla-Leu-Met], a NK-2 Tachykinin Receptor Antagonist
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Ha Jong-Myung
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Abstract
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Solution conformation of cyclo-(Gln1-Trp2-Phe3-βAla4-Leu5-Met6), new NK-2 antagonist in dimethyl sulfoxide solution, has been determined by the use of two-dimensional nuclear magnetic resonance spectroscopy combined with simulated annealing calculations. The peptide exhibited converged structures with the atomic root-mean-square difference for the backbone atoms (N, Cα, C') of all residues being 0.02Å in the 25 annealed structures. The analysis of the structures indicated that the cyclic peptide has three intramolecular hydrogen bonds between Met6NH and βAla4CO, βAla4NH and Met6CO, Phe3NH and Met6CO, and contain a type-I β-turn with Gln and Trp and Υ-turn with Leu. The addition of an extra methylene group to Gly, i.e. P-Ala residue, may relax some unfavorable restraints in the cyclic backbone structure, hence enabling an additional hydrogen bond, which results in stabilizing one conformation.
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KEYWORD
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