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Interaction of [Ile7]angiotensin III with dodecylphosphocholine micelles: NMR and molecular dynamics studies

✍ Scribed by Anant B. Patel; Sudha Srivastava; Ratna S. Phadke

Publisher: John Wiley and Sons
Year: 1999
Tongue: English
Weight: 160 KB
Volume: 37
Category: Article
ISSN: 0749-1581
DOI: 10.1002/(sici)1097-458x(199904)37:4<279::aid-mrc451>3.0.co;2-6

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✦ Synopsis

The conformation of [Ile7]angiotensin III was studied in aqueous and micellar [dodecylphosphocholine(DPC)] media by 2D NMR and molecular dynamics (MD) simulation techniques. Complete resonance assignments were made using a combination of DQF-COSY, TOCSY and ROESY or NOESY spectra. The NMR parameters, chemical shifts and the pattern of intra-and inter-residue NOEs were used for the characterization of secondary structure. Restrained MD simulations with IRMA (iterative relaxation matrix approach)-reÐned NMR distances show that the molecule acquires an extended conformation in water. However, interaction with DPC micelles induces a bend in the molecule at the Ile4 position.

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