Buildup rates of the nuclear Overhauser effect measured by two-dimensional proton magnetic resonance spectroscopy: implications for studies of protein conformation

Enterobactin Protonation and Iron Release: Structural Characterization of the Salicylate Coordination Shift in Ferric Enterobactin1

“…The rate of the NOE cross peak intensity growth is inversely proportional to the sixth power of the distance between nuclei ( Figure S5). 41 As suggested by the DFT calculated structures, the amide bond rotates upon acidification, which causes the intensities of the cross peaks between the amide proton and the benzoyl ortho-proton or one of the seryl β-proton to increase significantly. These correlations are highlighted in Figure 8.…”

Cardiolipin modulates the secondary structure of the presequence peptide of cytochrome oxidase subunit IV: a 2D 1H‐NMR study

“…TOCSY spectra were recorded using a clean MLEV-17 mixing sequence [25,26] with total mixing times of 3(~50 ms which include the delays of the clean-TOCSY pulse scheme. NOESY spectra [27,28] were recorded with a mixing time of 100, 200 and 300 ms. All 2D spectra were recorded in a phase-sensitive absorption mode using TPPI in tB [29]. The crosspeaks around 4.6 p.p.m,, which are normally irradiated together with the water line were made observable using the SCUBA method [30].…”

A d(GpG)‐platinated decanucleotide duplex is kinked

“…NOESY experiments using mixing times of 50, 150, 250, 350 ms were recorded for the internuclear distance calculations and the spectra were processed as described above. In order to avoid errors in calculated distances due to spin diffusion to neighboring protons for the larger mixing times, we have measured the initial magnetization transfer rate for every analyzed NOE [19]. Integration of the NOE cross-peak volumes on the two-dimensional maps was performed using the program for automatic research and integration of signals (PARIS) [20].…”

“…Thus, a likely trajectory is C,(N : S) % C,(N : N) + E,(N : N) fi E,(S : N). The equilibria on the left and right side comprise merely a repuckering; such equilibria are known to be rapid on the NMR time scale, the energy barrier being [8][9][10][11][12][13][14][15][16][17][18][19][20][21][22][23][24][25] kJ/mol [37, 471. We have thus investigated only the C,(N: N) % E, (N : N) equilibrium.…”