The Micelle-Associated 3D Structures of Boc-Y(SO3)-Nle-G-W-Nle-D-2-phenylethylester (JMV-180) and CCK-8(s) Share Conformational Elements of a Calculated CCK1 Receptor-Bound Model.

[摘要]：JMV-180 (1) and CCK-8(s) are high affinity ligands at the CCK1 receptor that have similar and different actions via this receptor. Here we calc. the tertiary structure of 1 or CCK-8(s) in the presence of dodecylphosphocholine micelles at pH 5.0 and 35 癈 from 2D 1H NMR data recorded at 600 MHz. The NMR derived 3D structures of 1 and CCK-8(s) share a common type I b-turn around residues Nle3/M3 and G4 and diverge from each other structurally at the N- and C-termini. The fluorescence and CD spectral properties of these peptides are consistent with their NMR derived structures. The structures detd. in the presence of DPC micelles are compared to available models of 1 or CCK-8(s) bound to the CCK1 receptor. For CCK and 1, these comparisons show that DPC micelle assocd. structures duplicate some important aspects of the models calcd. from crosslinking derived constraints at the CCK1 receptor.

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