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Membrane‐induced conformation of [Val4, Ile7] angiotensin III by NMR and molecular dynamics methods
Author(s) -
Patel Anant B.,
Srivastava Sudha,
Phadke Ratna S.
Publication year - 1998
Publication title -
magnetic resonance in chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.483
H-Index - 72
eISSN - 1097-458X
pISSN - 0749-1581
DOI - 10.1002/(sici)1097-458x(1998110)36:11<815::aid-omr372>3.0.co;2-k
Subject(s) - chemistry , two dimensional nuclear magnetic resonance spectroscopy , molecular dynamics , deuterium , nuclear magnetic resonance spectroscopy , nmr spectra database , micelle , molecule , deuterium nmr , aqueous solution , angiotensin ii , carbon 13 nmr satellite , chemical shift , crystallography , spectral line , computational chemistry , stereochemistry , fluorine 19 nmr , organic chemistry , biochemistry , physics , receptor , quantum mechanics , astronomy
The conformation of [Val4, Ile7]Angiotensin III has beenstudied in aqueous and micellar (DPC) media by 2D NMR and MDsimulations. Complete resonance assignments have been made usingcombination of DQF‐COSY, TOCSY and ROESY/NOESY spectra. The NMRparameters— 3 J NH coupling constants, deuteriumexchange rates, chemical shifts and the pattern of intra andinter‐residue NOEs together with the restrained MD simulations showthat the molecule acquires an extended conformation in water and aconformation in DPC micelles which is characterized by a bend at Val4.© 1998 John Wiley & Sons, Ltd.