Structural and biological implications of the binding of Leu-enkephalin and its metal derivatives to opioid receptorsElectronic supplementary information (ESI) available. See DOI: 10.1039/c3dt50635e

Binding of Leu-enkephalin and [Rh III ( 5 -Cp*)( 6 -Tyr 1 )]Leu-enkephalin to the recently published crystal structures of the - and -opioid receptor is studied. Docking of free Leu-enkephalin reveals two preferred conformations, one of which suggests an alternative binding site for the tyrosine res...

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Main Authors: Wieberneit, Florian, Korste, Annika, Albada, H. Bauke, Metzler-Nolte, Nils, Stoll, Raphael
Format: Article
Language:English
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Summary:Binding of Leu-enkephalin and [Rh III ( 5 -Cp*)( 6 -Tyr 1 )]Leu-enkephalin to the recently published crystal structures of the - and -opioid receptor is studied. Docking of free Leu-enkephalin reveals two preferred conformations, one of which suggests an alternative binding site for the tyrosine residue. Furthermore, the three-dimensional solution structure of [Rh III ( 5 -Cp*)( 6 -Tyr 1 )]Leu-enkephalin was solved by using 2D NMR spectroscopic techniques. NMR structure determination in solution and docking studies of a Cp*Rh III -derivative of Leu-enkephalin show that it can bind to the - and -opioid receptors in the same pocket as Leu-enkephalin itself, although in a slightly different conformation.
ISSN:1477-9226
1477-9234
DOI:10.1039/c3dt50635e