Conformational analysis of met‐enkephalin in both aqueous solution and in the presence of sodium dodecyl sulfate micelles using multidimensional NMR and molecular modeling

William H. Graham, Eugene S. Carter, Rickey Paige Hicks

Research output: Contribution to journalArticle

102 Citations (Scopus)

Abstract

Proton and 13C chemical shift assignments are reported for the neuropeptide Met‐enkephalin (ME) in both aqueous solution and in the presence of 50 mM sodium dodecyl sulfate (SDS). Rotating frame nuclear Overhauser enhancement spectroscopy was used to qualitatively describe interproton distances. These distances were then used as restraints in the distance geometry based molecular modeling program Dspace, developed by Hare Research to generate sets of conformations of ME. The resulting aqueous solution conformations of ME were determined to exhibit characteristic of an extended random‐coil polypeptide with no distinguishable secondary structure. The resulting set of solution conformations of ME in the presence of 50 m M SDS exhibited characteristics of an amphiphilic type IV β turn that are stabilized by hydrophobic aromatic‐aromatic interactions between the side chains of Tyr1 and Phe4. © 1992 John Wiley & Sons, Inc.

Original languageEnglish (US)
Pages (from-to)1755-1764
Number of pages10
JournalBiopolymers
Volume32
Issue number12
DOIs
StatePublished - Jan 1 1992

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Molecular modeling
Sodium dodecyl sulfate
Micelles
Sodium Dodecyl Sulfate
Conformations
Nuclear magnetic resonance
Hares
Neuropeptides
Hydrophobic and Hydrophilic Interactions
Protons
Spectrum Analysis
Polypeptides
Chemical shift
Peptides
Research
Spectroscopy
Geometry

ASJC Scopus subject areas

  • Biophysics
  • Biochemistry
  • Biomaterials
  • Organic Chemistry

Cite this

Conformational analysis of met‐enkephalin in both aqueous solution and in the presence of sodium dodecyl sulfate micelles using multidimensional NMR and molecular modeling. / Graham, William H.; Carter, Eugene S.; Hicks, Rickey Paige.

In: Biopolymers, Vol. 32, No. 12, 01.01.1992, p. 1755-1764.

Research output: Contribution to journalArticle

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