Solution conformation of an ETB selective agonist, ET‐1[Cys(Acm)1,15,Ala3,Leu7,Aib11], in CD3OH/H2O by 1H NMR and molecular modelling

FEBS Letters

Hewage, Chandralal M¹  Parkinson, John A¹  Sadler, Ian H¹  Jiang, Lu¹  Ramage, Robert¹ 

[1]Department of Chemistry, University of Edinburgh, West Mains Road, Edinburgh EH9 3JJ, UK

关键词: Endothelin;    Molecular modelling;    Nuclear magnetic resonance;    Peptide solution structure;    DIANA;    distance geometry algorithm for NMR applications;    DQFCOSY;    double quantum filtered correlation spectroscopy;    DSA;    dynamical simulated annealing;    ET-1;    endothelin-1;    MD;    molecular dynamics;    NMR;    nuclear magnetic resonance;    NOESY;    nuclear Overhauser effect correlation spectroscopy;    RMSD;    root mean square deviation;    TOCSY;    total correlation spectroscopy;   

DOI  :  10.1016/S0014-5793(98)00239-7

学科分类：生物化学/生物物理

来源: John Wiley & Sons Ltd.

【 摘 要 】

To understand the basic structural requirements for the biological activity of endothelin peptides, the solution structure of an ET_B 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 α-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.

【 授权许可】

Unknown