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Conformation of sarafotoxin‐6b in aqueous solution determined by NMR spectroscopy and distance geometry
Author(s) -
Mills Robyn G.,
Atkins Annette R.,
Harvey Tim,
Junius F.Keith,
Smith Ross,
King Glenn F.
Publication year - 1991
Publication title -
febs letters
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.593
H-Index - 257
eISSN - 1873-3468
pISSN - 0014-5793
DOI - 10.1016/0014-5793(91)80488-o
Subject(s) - aqueous solution , nuclear magnetic resonance spectroscopy , spectroscopy , geometry , chemistry , crystallography , materials science , physics , mathematics , stereochemistry , quantum mechanics
The solution structure of sarafotoxin‐6b in water has been determined using high‐resolution NMR spectroscopy, 127 proton‐proton distance measurements and three ω dihedral angle constraints derived from NMR spectra were used to calculate the solution structure using a combination of distance geometry and restrained molecular dynamics. The major structural feature of the resulting family of five structures was a right‐handed α‐helix extending from K9 to Q17. In contrast, the C‐terminal region of the peptide appears not to adopt a preferred conformation in aqueous solution. The present structure is compared with those previously determined for endothelin peptides in non‐aqueous solvents.