ArticleJournal of biomolecular NMR2003
Assessing the effects of time and spatial averaging in 15N chemical shift/15N-1H dipolar correlation solid state NMR experiments.
Article in Journal of biomolecular NMR, 2003. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 18 papers.
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18 citing papers in PubMed, 48 citations in OpenAlex.
- A kink in DWORF helical structure controls the activation of the sarcoplasmic reticulum CaStructure (London, England : 1993) · 2022Article
- Membrane interactions of phylloseptin-1, -2, and -3 peptides by oriented solid-state NMR spectroscopy.Biophysical journal · 2014Article
- Structural dynamics and conformational equilibria of SERCA regulatory proteins in membranes by solid-state NMR restrained simulations.Biophysical journal · 2014Article
- Supramolecular structure of membrane-associated polypeptides by combining solid-state NMR and molecular dynamics simulations.Biophysical journal · 2012Article
- Transmembrane helix orientation and dynamics: insights from ensemble dynamics with solid-state NMR observables.Biophysical journal · 2011Article
- Consensus structure of Pf1 filamentous bacteriophage from X-ray fibre diffraction and solid-state NMR.European biophysics journal : EBJ · 2011Article
- Interpretation of 2H-NMR experiments on the orientation of the transmembrane helix WALP23 by computer simulations.Biophysical journal · 2010Article
- Order parameters of a transmembrane helix in a fluid bilayer: case study of a WALP peptide.Biophysical journal · 2010Article
- Proton-evolved local-field solid-state NMR studies of cytochrome b5 embedded in bicelles, revealing both structural and dynamical information.Journal of the American Chemical Society · 2010Article
- A refinement protocol to determine structure, topology, and depth of insertion of membrane proteins using hybrid solution and solid-state NMR restraints.Journal of biomolecular NMR · 2009Article
- Tilt and azimuthal angles of a transmembrane peptide: a comparison between molecular dynamics calculations and solid-state NMR data of sarcolipin in lipid membranes.Biophysical journal · 2009Article
- Influence of whole-body dynamics on 15N PISEMA NMR spectra of membrane proteins: a theoretical analysis.Biophysical journal · 2009Article
- Orientation and dynamics of peptides in membranes calculated from 2H-NMR data.Biophysical journal · 2009Article
- On the structures of filamentous bacteriophage Ff (fd, f1, M13).European biophysics journal : EBJ · 2008Article
- The dynamic orientation of membrane-bound peptides: bridging simulations and experiments.Biophysical journal · 2007Article
- Uniformly aligned full-length membrane proteins in liquid crystalline bilayers for structural characterization.Journal of the American Chemical Society · 2007Article
- Structure, dynamics and topology of membrane polypeptides by oriented 2H solid-state NMR spectroscopy.European biophysics journal : EBJ · 2007Article
- Can PISEMA experiments be used to extract structural parameters for mobile beta-barrels?Journal of biomolecular NMR · 2005Article
Corrections and comments
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Authors and funding
3 authors at 1 institution in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
The effect of time and spatial averaging on (15)N chemical shift/(1)H-(15)N dipolar correlation spectra, i.e., PISEMA spectra, of alpha-helical membrane peptides and proteins is investigated. Three types of motion are considered: (a) Librational motion of the peptide planes in the alpha-helix; (b) rotation of the helix about its long axis; and (c) wobble of the helix about a nominal tilt angle. A 2ns molecular dynamics simulation of helix D of bacteriorhodopsin is used to determine the effect of librational motion on the spectral parameters. For the time averaging, the rotation and wobble of this same helix are modelled by assuming either Gaussian motion about the respective angles or a uniform distribution of a given width. For the spatial averaging, regions of possible (15)N chemical shift/(1)H-(15)N dipolar splittings are computed for a distribution of rotations and/or tilt angles of the helix. The computed spectra show that under certain motional modes the (15)N chemical shift/(1)H-(15)N dipolar pairs for each of the residues do not form patterns which mimic helical wheel patterns. As a result, the unambiguous identification of helix tilt and helix rotation without any resonance assignments or on the basis of a single assignment may be difficult.
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