title: Solution conformation of an ET(B) selective agonist, ET-1[Cys(Acm)1,15,Ala3,Leu7,Aib11], in CD3OH/H2O by 1H NMR and molecular modelling.
abstract: To understand the basic structural requirements for the biological activity of endothelin peptides, the solution structure of an ETB selective agonist, ET-1[Cys-(Acm)1,15, Ala3,Leu7,Aib11, was investigated by 1H NMR spectroscopy and molecular modelling. The structure is characterised by an alpha-helical conformation between residues Ser5-His16 but is undefined at both the N and C termini. To date, neither the solution structures of linear modified peptides nor the effects of a methanol/water solvent system have been examined for endothelin or endothelin-like peptides. This structure plays an important role towards the design of endothelin receptor selective agonists and antagonists.
authors.affiliation: Department of Chemistry, University of Edinburgh, UK.
authors.forename: C M
authors.initials: CM
authors.lastname: Hewage
authors.forename: L
authors.initials: L
authors.lastname: Jiang
authors.forename: J A
authors.initials: JA
authors.lastname: Parkinson
authors.forename: R
authors.initials: R
authors.lastname: Ramage
authors.forename: I H
authors.initials: IH
authors.lastname: Sadler
mesh_terms: D000595:Amino Acid Sequence; D019187:Cadmium Compounds; D019332:Endothelin-1 / Q000031:analogs & derivatives* / Q000737:chemistry; D008958:Models, Molecular; D008969:Molecular Sequence Data; D019906:Nuclear Magnetic Resonance, Biomolecular / Q000379:methods*; D017433:Protein Structure, Secondary; D044023:Receptor, Endothelin B; D017466:Receptors, Endothelin / Q000819:agonists*; D012996:Solutions; D013696:Temperature; D014867:Water
chemical_list: D019187:Cadmium Compounds; D019332:Endothelin-1; D044023:Receptor, Endothelin B; D017466:Receptors, Endothelin; D012996:Solutions; C112014:endothelin-1, Cys(Acm)(1,15)-Ala(3)-Leu(7)-Aib(11)-; D014867:Water