ArticleBiophysical journal2009
Tilt and azimuthal angles of a transmembrane peptide: a comparison between molecular dynamics calculations and solid-state NMR data of sarcolipin in lipid membranes.
Article in Biophysical journal, 2009. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 19 papers.
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Who cites it
19 citing papers in PubMed, 39 citations in OpenAlex.
- Energy Landscape Analysis of Membrane Proteins Using NMR-Based Hybrid Restraint Potentials.Journal of chemical theory and computation · 2026Article
- Structural basis for sarcolipin's regulation of muscle thermogenesis by the sarcoplasmic reticulum CaScience advances · 2021Article
- Conserved Luminal C-Terminal Domain Dynamically Controls Interdomain Communication in Sarcolipin.Journal of chemical information and modeling · 2020Article
- A theoretical assessment of structure determination of multi-span membrane proteins by oriented sample solid-state NMR spectroscopy.Australian journal of chemistry · 2020Article
- Synergistic Effects of Melittin and Plasma Treatment: A Promising Approach for Cancer Therapy.Cancers · 2019Article
- Probing Residue-Specific Water-Protein Interactions in Oriented Lipid Membranes via Solid-State NMR Spectroscopy.The journal of physical chemistry. B · 2016Article
- Multiple acquisition of magic angle spinning solid-state NMR experiments using one receiver: application to microcrystalline and membrane protein preparations.Journal of magnetic resonance (San Diego, Calif. : 1997) · 2015Article
- Optimization of bicelle lipid composition and temperature for EPR spectroscopy of aligned membranes.Journal of magnetic resonance (San Diego, Calif. : 1997) · 2015Article
- Structural dynamics and conformational equilibria of SERCA regulatory proteins in membranes by solid-state NMR restrained simulations.Biophysical journal · 2014Article
- Determination of structural topology of a membrane protein in lipid bilayers using polarization optimized experiments (POE) for static and MAS solid state NMR spectroscopy.Journal of biomolecular NMR · 2013Article
- Supramolecular structure of membrane-associated polypeptides by combining solid-state NMR and molecular dynamics simulations.Biophysical journal · 2012Article
- Multidimensional oriented solid-state NMR experiments enable the sequential assignment of uniformly 15N labeled integral membrane proteins in magnetically aligned lipid bilayers.Journal of biomolecular NMR · 2011Article
- Molecular dynamics simulation of Bombolitin II in the dipalmitoylphosphatidylcholine membrane bilayer.Biophysical journal · 2011Article
- Amphipathic antimicrobial piscidin in magnetically aligned lipid bilayers.Biophysical journal · 2011Article
- Effects of clinically relevant MPL mutations in the transmembrane domain revealed at the atomic level through computational modeling.PloS one · 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
- Sensitivity enhancement of separated local field experiments: application to membrane proteins.The journal of physical chemistry. B · 2010Article
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Authors and funding
4 authors at 1 institution in 1 country.
Funding
Abstract
We report molecular dynamics simulations in the explicit membrane environment of a small membrane-embedded protein, sarcolipin, which regulates the sarcoplasmic reticulum Ca-ATPase activity in both cardiac and skeletal muscle. In its monomeric form, we found that sarcolipin adopts a helical conformation, with a computed average tilt angle of 28 +/- 6 degrees and azymuthal angles of 66 +/- 22 degrees, in reasonable accord with angles determined experimentally (23 +/- 2 degrees and 50 +/- 4 degrees, respectively) using solid-state NMR with separated-local-field experiments. The effects of time and spatial averaging on both (15)N chemical shift anisotropy and (1)H/(15)N dipolar couplings have been analyzed using short-time averages of fast amide out-of-plane motions and following principal component dynamic trajectories. We found that it is possible to reproduce the regular oscillatory patterns observed for the anisotropic NMR parameters (i.e., PISA wheels) employing average amide vectors. This work highlights the role of molecular dynamics simulations as a tool for the analysis and interpretation of solid-state NMR data.
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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.