An NMR Study of the Solution Dynamics of Deltorphin-I

Abstract

Nuclear spin relaxation rates associated with cross-correlated, dipole-dipole interactions are enlisted to help characterize the solution state dynamics of a small heptapeptide, deltorphin-I. A simple two-site jump model can be used to interpret the data obtained on two specific (13)C labeled residues, D-alanine and glycine. The influence of temperature and solvent upon the observed dynamics is investigated. Similarly, relaxation rates associated with dipole-shielding anisotropy interferences are used to examine the magnitude and orientation of various chemical shielding tensors within the D-alanine and glycine residues.

NMR relaxation interference effects and internal dynamics in γ-cyclodextrin

“…They are shown as C long CH; C and C spinÀlock CH; C , respectively, in Table 2. Similar measurements for a CH 2 group have earlier been reported by Chenon and Werbelow [13]. Following their approach, we did not use the DD/CSA cross-correlated relaxation rates in our analysis to determine the dynamics.…”

“…Not least, these phenomena have during recent decades found important applications in NMR studies of the dynamics and structure of proteins and other biological molecules [10][11][12]. One of the groupings of interest are methylene groups, 13 CH 2 , commonly studied in uniformly 13 C-labeled proteins [6,[13][14][15][16][17][18][19][20].…”

“…The dynamics of cyclodextrins has earlier been studied by Kowalewski and Widmalm [23], using conventional 13 C relaxation parameters at several magnetic fields. In this study, we combine the conventional 13 C relaxation data with the longitudinal and transverse cross-correlated relaxation rates (CCRRs) and explore the possibilities that these extended experimental data sets offer in order to obtain a better understanding of important local conformational dynamics.…”

“…In this study, we combine the conventional 13 C relaxation data with the longitudinal and transverse cross-correlated relaxation rates (CCRRs) and explore the possibilities that these extended experimental data sets offer in order to obtain a better understanding of important local conformational dynamics. This additional dynamics of exocyclic methylene group has been mentioned by McCain and Markley [24].…”

Reorientational dynamics of two isomers of thiacalix[4]arene

“…24 However, we believe that it is justified in our particular case. The largest principal components of both DD interaction and CST coincide along the CH bond for proton-carrying carbon atoms.…”