Conformation of sarafotoxin-6b in aqueous solution determined by NMR spectroscopy and distance geometry |
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Authors: | R G Mills A R Atkins T Harvey F K Junius R Smith G F King |
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Institution: | Department of Biochemistry, University of Sydney, NSW, Australia. |
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Abstract: | The solution structure of sarafotoxin-6b in water has been determined using high-resolution NMR spectroscopy. 127 proton-proton distance measurements and three phi 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 alpha-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. |
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