Membrane-induced conformation of [Val4, Ile7] angiotensin III by NMR and molecular dynamics methods

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

• Publisher: John Wiley and Sons
• Year: 1998
• Tongue: English
• Weight: 284 KB
• Volume: 36
• Category: Article
• ISSN: 0749-1581
• DOI: 10.1002/(sici)1097-458x(1998110)36:11<815::aid-omr372>3.0.co;2-k

✦ Synopsis

The conformation of [Val4, Ile7]Angiotensin III has been studied in aqueous and micellar (DPC) media by 2D NMR and MD simulations. Complete resonance assignments have been made using combination of DQF-COSY, TOCSY and ROESY/NOESY spectra. The NMR parameters coupling constants, deuterium [ 3J NH exchange rates, chemical shifts and the pattern of intra and inter-residue NOEs together with the restrained MD simulations show that the molecule acquires an extended conformation in water and a conformation in DPC micelles which is characterized by a bend at Val4.