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Achieving pure spin effects by artifact suppression in methyl adiabatic relaxation experiments
- Source :
- J Biomol NMR
- Publication Year :
- 2020
- Publisher :
- Springer Science and Business Media LLC, 2020.
-
Abstract
- Recent methyl adiabatic relaxation dispersion experiments provide examination of conformational dynamics across a very wide timescale (10(2) – 10(5) sec(−1)) and, particularly, provide insight into the hydrophobic core of proteins and allosteric effects associated with modulators. The experiments require efficient decoupling of (1)H and (13)C spin interactions, and some artifacts have been discovered, which are associated with the design of the proton decoupling scheme. The experimental data suggest that the original design is valid; however, pulse sequences with either no proton decoupling or proton decoupling with imperfect pulses can potentially exhibit complications in the experiments. Here, we demonstrate that pulse imperfections in the proton decoupling scheme can be dramatically alleviated by using a single composite π pulse and provide pure single-exponential relaxation data. It allows the opportunity to access high-quality methyl adiabatic relaxation dispersion data by removing the cross-correlation between dipole-dipole interaction and chemical shift anisotropy. The resulting high-quality data is illustrated with the binding of an allosteric modulator (G2BR) to the ubiquitin conjugating enzyme Ube2g2.
- Subjects :
- Models, Molecular
0301 basic medicine
Protein Folding
Allosteric modulator
Protein Conformation
Recombinant Fusion Proteins
Allosteric regulation
010402 general chemistry
Proton decoupling
01 natural sciences
Biochemistry
Article
03 medical and health sciences
Allosteric Regulation
Point Mutation
Adiabatic process
Anisotropy
Nuclear Magnetic Resonance, Biomolecular
Spectroscopy
Binding Sites
Chemistry
Decoupling (cosmology)
Peptide Fragments
0104 chemical sciences
Receptors, Autocrine Motility Factor
030104 developmental biology
Chemical physics
Ubiquitin-Conjugating Enzymes
Artifact suppression
Thermodynamics
Protons
Artifacts
Subjects
Details
- ISSN :
- 15735001 and 09252738
- Volume :
- 74
- Database :
- OpenAIRE
- Journal :
- Journal of Biomolecular NMR
- Accession number :
- edsair.doi.dedup.....c3e3b098d5cb02f25088f0f819aeac49