ArticleThe journal of physical chemistry. B2006
Dynamics of the nitroxide side chain in spin-labeled proteins.
Article in The journal of physical chemistry. B, 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.
- A dynamic duo: Copper metalloregulators and continuous-wave electron spin resonance spectroscopy.Biophysical reports · 2026Review
- A novel approach to modeling side chain ensembles of the bifunctional spin label RX.bioRxiv : the preprint server for biology · 2023Article
- Comparative evaluation of spin-label modeling methods for protein structural studies.Biophysical journal · 2022Article
- Spin Labeling of Surface Cysteines Using a Bromoacrylaldehyde Spin Label.Applied magnetic resonance · 2021Article
- DEER-PREdict: Software for efficient calculation of spin-labeling EPR and NMR data from conformational ensembles.PLoS computational biology · 2021Article
- Natural Conformational Sampling of Human TNFα Visualized by Double Electron-Electron Resonance.Biophysical journal · 2017Article
- Assembly of Bak homodimers into higher order homooligomers in the mitochondrial apoptotic pore.Scientific reports · 2016Article
- Membrane Docking of the Synaptotagmin 7 C2A Domain: Electron Paramagnetic Resonance Measurements Show Contributions from Two Membrane Binding Loops.Biochemistry · 2015Article
- Simulating the distance distribution between spin-labels attached to proteins.The journal of physical chemistry. B · 2015Article
- Protein dynamics in the solid state from 2H NMR line shape analysis: a consistent perspective.The journal of physical chemistry. B · 2015Article
- Conformational selection and adaptation to ligand binding in T4 lysozyme cavity mutants.Proceedings of the National Academy of Sciences of the United States of America · 2013Article
- Structural refinement from restrained-ensemble simulations based on EPR/DEER data: application to T4 lysozyme.The journal of physical chemistry. B · 2013Article
- Article
- Simulating the dynamics and orientations of spin-labeled side chains in a protein-DNA complex.The journal of physical chemistry. B · 2012Article
- Computer modeling of nitroxide spin labels on proteins.Biopolymers · 2012Article
- Structural changes in bacteriorhodopsin during in vitro refolding from a partially denatured state.Biophysical journal · 2011Article
- Conformational analysis of a nitroxide side chain in an α-helix with density functional theory.The journal of physical chemistry. B · 2011Article
- Structural origins of nitroxide side chain dynamics on membrane protein α-helical sites.Biochemistry · 2010Article
- Structural dynamics of bio-macromolecules by NMR: the slowly relaxing local structure approach.Progress in nuclear magnetic resonance spectroscopy · 2010Review
- Conformational analysis of the partially disordered measles virus N(TAIL)-XD complex by SDSL EPR spectroscopy.Biophysical journal · 2010Article
Corrections and comments
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Authors and funding
3 authors.
Funding
Abstract
The dynamics of the tether linking methanethiosulfonate (MTSSL) spin probes to alpha-helices has been investigated with the purpose of rationalizing its effects on ESR line shapes. Torsional profiles for the chain bonds have been calculated ab initio, and steric interactions with the alpha-helix and the neighboring residues have been introduced at the excluded-volume level. As a consequence of the restrictions deriving from chain geometry and local constraints, a limited number of allowed conformers has been identified that undergo torsional oscillations and conformational jumps. Torsional fluctuations are described as damped oscillations, while transition rates between conformers are calculated according to the Langer multidimensional extension of the Kramers theory. The time scale and amplitude of the different motions are compared; the major role played by rotations of the outermost bonds of the side chain emerges, along with the effects of substituents in the pyrroline ring on the conformer distribution and dynamics. The extent and symmetry of magnetic tensor averaging produced by the side chain motions are estimated, the implications for the ESR spectra of spin-labeled proteins are discussed, and suggestions for the introduction of realistic features of the spin probe dynamics into the line shape simulation are presented.
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Registered trials
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.