Dynamic properties of salmon calcitonin bound to sodium dodecyl sulfate micelles: a restrained molecular dynamics study from NMR data.
We have investigated the conformational behaviour of salmon calcitonin bound to sodium dodecyl sulfate micelles by means of restrained molecular dynamics simulations with both 'static' and time-averaged NMR distance restraints. A more realistic picture of the inherent flexibility of the hormone is obtained when using time averaging. With this approach, long-range NOEs are interpreted better by considering a dynamical exchange among different conformations.
Castiglione Morelli
M A
MA
European Molecular Biology Laboratory, Heidelberg, Germany.
Pastore
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A
Motta
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D000595:Amino Acid Sequence; D000818:Animals; D002116:Calcitonin / Q000737:chemistry* / Q000378:metabolism; D009682:Magnetic Resonance Spectroscopy; D008823:Micelles; D008969:Molecular Sequence Data; D012474:Salmon; D012967:Sodium Dodecyl Sulfate / Q000378:metabolism*
D008823:Micelles; D012967:Sodium Dodecyl Sulfate; D002116:Calcitonin