ArticleBiophysical journal2006
Dipolar coupling between nitroxide spin labels: the development and application of a tether-in-a-cone model.
Article in Biophysical journal, 2006. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 30 papers.
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Who cites it
30 citing papers in PubMed.
- Advances in EPR Approaches for Studying Structural Properties of Membrane Proteins.Magnetic resonance in chemistry : MRC · 2026Review
- Protein Modeling with DEER Spectroscopy.Annual review of biophysics · 2025Review
- Electron Paramagnetic Resonance as a Tool for Studying Membrane Proteins.Biomolecules · 2020Review
- Site-Directed Spin Labeling EPR for Studying Membrane Proteins.BioMed research international · 2018Review
- Article
- Long Distance Measurements up to 160 Å in the GroEL Tetradecamer Using Q-Band DEER EPR Spectroscopy.Angewandte Chemie (International ed. in English) · 2016Article
- Structure of an E. coli integral membrane sulfurtransferase and its structural transition upon SCN(-) binding defined by EPR-based hybrid method.Scientific reports · 2016Article
- Characterization of the Domain Orientations of E. coli 5'-Nucleotidase by Fitting an Ensemble of Conformers to DEER Distance Distributions.Structure (London, England : 1993) · 2016Article
- Navigating Membrane Protein Structure, Dynamics, and Energy Landscapes Using Spin Labeling and EPR Spectroscopy.Methods in enzymology · 2015Article
- A Straightforward Approach to the Analysis of Double Electron-Electron Resonance Data.Methods in enzymology · 2015Article
- CW dipolar broadening EPR spectroscopy and mechanically aligned bilayers used to measure distance and relative orientation between two TOAC spin labels on an antimicrobial peptide.Journal of magnetic resonance (San Diego, Calif. : 1997) · 2014Article
- Automated structure refinement for a protein heterodimer complex using limited EPR spectroscopic data and a rigid-body docking algorithm: a three-dimensional model for an ankyrin-CDB3 complex.The journal of physical chemistry. B · 2014Article
- Organization of the mitochondrial apoptotic BAK pore: oligomerization of the BAK homodimers.The Journal of biological chemistry · 2014Article
- mtsslSuite:Molecular physics · 2013Article
- Structural arrangement of the intracellular Ca2+ binding domains of the cardiac Na+/Ca2+ exchanger (NCX1.1): effects of Ca2+ binding.The Journal of biological chemistry · 2013Article
- Inter-spin distance determination using L-band (1-2 GHz) non-adiabatic rapid sweep electron paramagnetic resonance (NARS EPR).Journal of magnetic resonance (San Diego, Calif. : 1997) · 2012Article
- The global analysis of DEER data.Journal of magnetic resonance (San Diego, Calif. : 1997) · 2012Article
- MtsslWizard: In Silico Spin-Labeling and Generation of Distance Distributions in PyMOL.Applied magnetic resonance · 2012Article
- Distance measurements on a dual-labeled TOAC AChR M2δ peptide in mechanically aligned DMPC bilayers via dipolar broadening CW-EPR spectroscopy.The journal of physical chemistry. B · 2012Article
- Determination of structural models of the complex between the cytoplasmic domain of erythrocyte band 3 and ankyrin-R repeats 13-24.The Journal of biological chemistry · 2011Article
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Authors and funding
6 authors.
Funding
Abstract
A tether-in-a-cone model is developed for the simulation of electron paramagnetic resonance spectra of dipolar coupled nitroxide spin labels attached to tethers statically disordered within cones of variable halfwidth. In this model, the nitroxides adopt a range of interprobe distances and orientations. The aim is to develop tools for determining both the distance distribution and the relative orientation of the labels from experimental spectra. Simulations demonstrate the sensitivity of electron paramagnetic resonance spectra to the orientation of the cones as a function of cone halfwidth and other parameters. For small cone halfwidths (< approximately 40 degrees ), simulated spectra are strongly dependent on the relative orientation of the cones. For larger cone halfwidths, spectra become independent of cone orientation. Tether-in-a-cone model simulations are analyzed using a convolution approach based on Fourier transforms. Spectra obtained by the Fourier convolution method more closely fit the tether-in-a-cone simulations as the halfwidth of the cone increases. The Fourier convolution method gives a reasonable estimate of the correct average distance, though the distance distribution obtained can be significantly distorted. Finally, the tether-in-a-cone model is successfully used to analyze experimental spectra from T4 lysozyme. These results demonstrate the utility of the model and highlight directions for further development.
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