Identification of the molecular mechanisms by which the diterpenoid salvinorin A binds to kappa-opioid receptors

Biochemistry. 2005 Jun 21;44(24):8643-51. doi: 10.1021/bi050490d.

Abstract

Salvinorin A is a naturally occurring hallucinogenic diterpenoid from the plant Salvia divinorumthat selectively and potently activates kappa-opioid receptors (KORs). Salvinorin A is unique in that it is the only known lipid-like molecule that selectively and potently activates a G-protein coupled receptor (GPCR), which has as its endogenous agonist a peptide; salvinorin A is also the only known non-nitrogenous opioid receptor agonist. In this paper, we identify key residues in KORs responsible for the high binding affinity and agonist efficacy of salvinorin A. Surprisingly, we discovered that salvinorin A was stabilized in the binding pocket by interactions with tyrosine residues in helix 7 (Tyr313 and Tyr320) and helix 2 (Tyr119). Intriguingly, activation of KORs by salvinorin A required interactions with the helix 7 tyrosines Tyr312, Tyr313, and Tyr320 and with Tyr139 in helix 3. In contrast, the prototypical nitrogenous KOR agonist U69593 and the endogenous peptidergic agonist dynorphin A (1-13) showed differential requirements for these three residues for binding and activation. We also employed a novel approach, whereby we examined the effects of cysteine-substitution mutagenesis on the binding of salvinorin A and an analogue with a free sulfhydryl group, 2-thiosalvinorin B. We discovered that residues predicted to be in close proximity, especially Tyr313, to the free thiol of 2-thiosalvinorin B when mutated to Cys showed enhanced affinity for 2-thiosalvinorin B. When these findings are taken together, they imply that the diterpenoid salvinorin A utilizes unique residues within a commonly shared binding pocket to selectively activate KORs.

Publication types

  • Research Support, N.I.H., Extramural
  • Research Support, U.S. Gov't, P.H.S.

MeSH terms

  • Amino Acid Sequence
  • Binding Sites
  • DNA, Complementary
  • Diterpenes / chemistry*
  • Diterpenes, Clerodane
  • Humans
  • Kinetics
  • Models, Molecular
  • Protein Structure, Secondary
  • Receptors, Opioid, kappa / chemistry*
  • Receptors, Opioid, kappa / metabolism*
  • Recombinant Proteins / chemistry
  • Recombinant Proteins / metabolism
  • Salvia

Substances

  • DNA, Complementary
  • Diterpenes
  • Diterpenes, Clerodane
  • Receptors, Opioid, kappa
  • Recombinant Proteins
  • salvinorin A