GPCR large-amplitude dynamics by (19)F-NMR of aprepitant bound to the neurokinin 1 receptor
Significance G protein-coupled receptor (GPCR) structures determined by X-ray crystallography or cryo-electron microscopy include 28 receptors for which complexes with agonists and antagonists can be compared. In all these comparisons, an interatomic distance representing the size of the orthosteric ligand binding groove differs by less than 2.9 Å. In this report, ^(19)F-NMR observations of the NK1R-bound drug molecule aprepitant show that the orthosteric binding groove undergoes transient...
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