Nuts and Bolts of CF3 and CH3 NMR Toward the Understanding of Conformational Exchange of GPCRs

2015 ◽  
pp. 39-51 ◽  
Author(s):  
R. Scott Prosser ◽  
Tae Hun Kim
Keyword(s):  
Conformational Exchange

Slow conformational exchange in DNA minihairpin loops: A conformationalstudy of the circular dumbbell d?pCGC-TT-GCG-TT?

Biopolymers ◽  
1995 ◽  
Vol 36 (6) ◽  
pp. 681-694 ◽  
Author(s):  
Johannes H Ippel ◽  
Virginia Lanzotti ◽  
Aldo Galeone ◽  
Luciano Mayol ◽  
Jaquelien E van den Boogaart ◽  
...  
Keyword(s):  
Conformational Exchange

scholarly journals Conformational Exchange Coupled to Ionization of Lys Residues Buried in Hydrophobic Environments in Proteins

2015 ◽  
Vol 108 (2) ◽  
pp. 529a
Author(s):  
Daniel E. Richman ◽  
Ananya Majumdar ◽  
Bertrand Garcia-Moreno
Keyword(s):  
Conformational Exchange

scholarly journals Analysis of Artifacts Caused by Pulse Imperfections in CPMG Pulse Trains in NMR Relaxation Dispersion Experiments

2018 ◽  
Vol 4 (3) ◽  
pp. 33 ◽  
Author(s):  
Tsuyoshi Konuma ◽  
Aritaka Nagadoi ◽  
Jun-ichi Kurita ◽  
Takahisa Ikegami
Keyword(s):  
Dipolar Coupling ◽  
Residual Dipolar Coupling ◽  
Nmr Relaxation ◽  
Relaxation Dispersion ◽  
Conformational Exchange ◽  
Resonance Effects ◽  
Pulse Trains ◽  
At Resonance ◽  
Selective Inversion ◽  
Resonance Relaxation

Nuclear magnetic resonance relaxation dispersion (rd) experiments provide kinetics and thermodynamics information of molecules undergoing conformational exchange. Rd experiments often use a Carr-Purcell-Meiboom-Gill (CPMG) pulse train equally separated by a spin-state selective inversion element (U-element). Even with measurement parameters carefully set, however, parts of 1H–15N correlations sometimes exhibit large artifacts that may hamper the subsequent analyses. We analyzed such artifacts with a combination of NMR measurements and simulation. We found that particularly the lowest CPMG frequency (νcpmg) can also introduce large artifacts into amide 1H–15N and aromatic 1H–13C correlations whose 15N/13C resonances are very close to the carrier frequencies. The simulation showed that the off-resonance effects and miscalibration of the CPMG π pulses generate artifact maxima at resonance offsets of even and odd multiples of νcpmg, respectively. We demonstrate that a method once introduced into the rd experiments for molecules having residual dipolar coupling significantly reduces artifacts. In the method the 15N/13C π pulse phase in the U-element is chosen between x and y. We show that the correctly adjusted sequence is tolerant to miscalibration of the CPMG π pulse power as large as ±10% for most amide 15N and aromatic 13C resonances of proteins.

scholarly journals In-Situ Flexibility of Both Redox-States of the Chloroplast Regulatory Protein CP12

2021 ◽  
Author(s):  
Helene Launay ◽  
Hui Shao ◽  
Olivier Bornet ◽  
Francois-Xavier Cantrelle ◽  
Regine Lebrun ◽  
...  
Keyword(s):  
Regulatory Protein ◽  
Cell Extract ◽  
Proton Exchange ◽  
Conformational Exchange ◽  
Amide Proton ◽  
Cysteine Residues ◽  
Intrinsically Disordered ◽  
Amide Proton Exchange ◽  
C Terminus ◽  
Helical Turn

In the chloroplast, Calvin-Benson-Bassham enzymes are active in the reducing environment imposed in the light via the electrons from the photosystems. In the dark these enzymes are inhibited, and this regulation is mainly mediated via oxidation of key regulatory cysteine residues. CP12 is a small protein that plays a role in this regulation with four cysteine residues that undergo a redox transition. Using amide-proton exchange with solvent measured by nuclear magnetic resonance (NMR) and mass-spectrometry, we confirmed that reduced CP12 is intrinsically disordered. Using real-time NMR, we showed that the oxidation of the two disulfide bridges are simultaneous. In oxidized CP12, the C23-C31 pair is in a region that undergoes a conformational exchange in the NMR-intermediate timescale. The C66-C75 pair is in the C-terminus that folds into a stable helical turn. We confirmed that these structural states exist in a physiologically relevant environment that is, in cell extract from Chlamydomonas reinhardtii. Consistent with these structural equilibria, the reduction is slower for the C66-C75 pair compared to the C23-C31 pair. Finally, the redox mid-potentials for the two cysteine pairs differ and are similar to those found for phosphoribulokinase and glyceraldehyde 3-phosphate dehydrogenase, that we relate to the regulatory role of CP12.

scholarly journals Role of Detergents in Conformational Exchange of a G Protein-coupled Receptor

2012 ◽  
Vol 287 (43) ◽  
pp. 36305-36311 ◽  
Author(s):  
Ka Young Chung ◽  
Tae Hun Kim ◽  
Aashish Manglik ◽  
Rohan Alvares ◽  
Brian K. Kobilka ◽  
...  
Keyword(s):  
G Protein ◽  
Conformational Exchange ◽  
G Protein Coupled Receptor ◽  
G Protein Coupled

Chiral "basket handle" binaphthyl porphyrins: synthesis, catalytic epoxidation and NMR conformational studies

2010 ◽  
Vol 14 (07) ◽  
pp. 646-659 ◽  
Author(s):  
Eric Rose ◽  
Emma Gallo ◽  
Nicolas Raoul ◽  
Léa Bouché ◽  
Ariane Pille ◽  
...  
Keyword(s):  
Time Scale ◽  
Room Temperature ◽  
Conformational Equilibrium ◽  
Variable Temperature ◽  
Conformational Exchange ◽  
Iron Catalysts ◽  
Nmr Studies ◽  
Conformational Studies ◽  
H Nmr ◽  
Catalytic Epoxidation

Three "basket handle" porphyrins have been prepared by condensation of tetrakis-(α,β,α,β-2-aminophenyl)porphyrin atropoisomer with 1,1′-binaphthyl, 2,2′-dimethoxy, -3,3′-dicarbonylchloride, -3,3′-diacetylchloride and -3,3′-dipropanoylchloride. The epoxidation of styrene with the three iron catalysts, obtained after metalation of the free porphyrins, occurs with good yields and moderate ee up to 54%. These porphyrins showed unexpected conformational differences, as revealed by NMR spectroscopy. In particular, variable temperature NMR studies showed that the methoxy group in one of them undergoes intermediate conformational exchange on the 1H NMR time scale at room temperature. Lowering the temperature to -50 °C revealed the presence of four states in slow exchange on the NMR time scale. These results evidence a dynamic conformational equilibrium of the binaphthyl handles that adopt different, asymmetric positions with respect to the porphyrin plane.

A methyl 1H double quantum CPMG experiment to study protein conformational exchange

2018 ◽  
Vol 72 (1-2) ◽  
pp. 79-91 ◽  
Author(s):  
Anusha B. Gopalan ◽  
Tairan Yuwen ◽  
Lewis E. Kay ◽  
Pramodh Vallurupalli
Keyword(s):  
Conformational Exchange ◽  
Double Quantum ◽  
Protein Conformational Exchange

scholarly journals Deconvolution of conformational exchange from Raman spectra of aqueous RNA nucleosides

2020 ◽  
Vol 3 (1) ◽  
Author(s):  
Alex L. Wilson ◽  
Carlos Outeiral ◽  
Sarah E. Dowd ◽  
Andrew J. Doig ◽  
Paul L. A. Popelier ◽  
...  
Keyword(s):  
Raman Spectra ◽  
Conformational Exchange
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