Determination of the structure of [Nle7]-endothelin by 1H NMR.
[Nle7]-endothelin was synthesized and studied by 1H NMR and distance geometry calculations. The NMR study was performed first in DMSO-d6 and then in 50% acetonitrile/water since this peptide aggregates in pure water. In both cases, all spin systems were identified and assigned with the aid of two-dimensional spectroscopy (2D): COSY (for scalar couplings) and NOESY (for dipolar couplings). On the basis of the acetonitrile/water NMR parameters, and using the DISGEO program, a three-dimensional structure of [Nle7]-endothelin is proposed and discussed.
Aumelas
A
A
CNRS-INSERM Center of Pharmacology-Endocrinology, Montpellier, France.
Chiche
L
L
Mahe
E
E
Le-Nguyen
D
D
Sizun
P
P
Berthault
P
P
Perly
B
B
D000097:Acetonitriles; D000595:Amino Acid Sequence; D004121:Dimethyl Sulfoxide; D016232:Endothelins / Q000138:chemical synthesis / Q000737:chemistry*; D009682:Magnetic Resonance Spectroscopy; D008969:Molecular Sequence Data; D011487:Protein Conformation; D012996:Solutions; D014867:Water
D000097:Acetonitriles; D016232:Endothelins; D012996:Solutions; D014867:Water; C070754:endothelin, Nle(7)-; D004121:Dimethyl Sulfoxide; C032159:acetonitrile