Receptor-bound conformation of an α5β1 integrin antagonist by 15N-edited 2D transferred nuclear overhauser effects

We report the results of 15N-edited 2D transferred NOE experiments of the partially 15N-labeled α5β1 antagonist c[Mpa15N-Arg-15N-Gly-15N-Asp-15N-Asp-15N-Val-Cys]-NH2 (Mpa denotes mercaptopropionic acid) in the presence of the native α5β1 receptor. The α5β1 integrin receptor is believed to be involved in tumor metastasis and the rational design of α5β1 integrin antogonist is therefore of considerable interest. Our experiments provide insight into the α5β1 receptor-bound conformation of the antagonist c[MpaRGDDVC]-NH2 and will be improtant for the design of novel antagonists. Copyright © 2002 American Chemical Society.