NMR paper A biradical-tagged phospholipid as a polarizing agent for solid-state MAS Dynamic Nuclear Polarization NMR of membrane proteins.

		BioNMR > Educational resources > Journal club
[NMR paper] A biradical-tagged phospholipid as a polarizing agent for solid-state MAS Dynamic Nuclear Polarization NMR of membrane proteins.

Webservers

NMR processing:

MDD

NMR assignment:

Backbone:

Side-chains:

NOEs:

Structure from NMR restraints:

Ab initio:

Fragment-based:

Rosetta-NMR (Robetta)

Template-based:

GeNMR

I-TASSER

Refinement:

Amber

Structure from chemical shifts:

Fragment-based:

Homology-based:

Torsion angles from chemical shifts:

Preditor

TALOS

Promega- Proline

Secondary structure from chemical shifts:

CSI (via RCI server)

TALOS

MICS caps, β-turns

d2D

PECAN

Flexibility from chemical shifts:

RCI

Interactions from chemical shifts:

HADDOCK

Chemical shifts re-referencing:

NMR model quality:

NOEs, other restraints:

Chemical shifts:

RDCs:

Pseudocontact shifts:

Protein geomtery:

SAVES2 or SAVES4

Quality Control Check

NMR spectrum prediction:

FANDAS

MestReS

V-NMR

Flexibility from structure:

Backbone S2

Methyl S2

B-factor

Molecular dynamics:

Gromacs

Amber

Antechamber

Chemical shifts prediction:

From structure:

Shiftx2

Sparta+

Camshift

CH3shift- Methyl

ArShift- Aromatic

ShiftS

Proshift

PPM

CheShift-2- Cα

From sequence:

Shifty

Camcoil

Poulsen_rc_CS

Disordered proteins:

MAXOCC

Format conversion & validation:

CCPN

From NMR-STAR 3.1

Validate NMR-STAR 3.1

NMR sample preparation:

Protein disorder:

DisMeta

Protein solubility:

Isotope labeling:

Solid-state NMR:

Thread Tools

Search this Thread

Rate Thread

Display Modes

04-29-2019, 11:03 AM

nmrlearner

Senior Member

Join Date: Jan 2005

Posts: 23,777

Points: 193,617, Level: 100

Level up: 0%, 0 Points needed

Activity: 50.7%

Last Achievements

Award-Showcase

NMR Credits: 0

NMR Points: 193,617

Downloads: 0

Uploads: 0

A biradical-tagged phospholipid as a polarizing agent for solid-state MAS Dynamic Nuclear Polarization NMR of membrane proteins.

A biradical-tagged phospholipid as a polarizing agent for solid-state MAS Dynamic Nuclear Polarization NMR of membrane proteins.

A biradical-tagged phospholipid as a polarizing agent for solid-state MAS Dynamic Nuclear Polarization NMR of membrane proteins.

Solid State Nucl Magn Reson. 2019 Apr 17;100:92-101

Authors: Good DB, Voinov MA, Bolton D, Ward ME, Sergeyev IV, Caporini M, Scheffer P, Lo A, Rosay M, Marek A, Brown LS, I Smirnov A, Ladizhansky V

Abstract
A novel Dynamic Nuclear Polarization (DNP) NMR polarizing agent ToSMTSL-PTE representing a phospholipid with a biradical TOTAPOL tethered to the polar head group has been synthesized, characterized, and employed to enhance solid-state Nuclear Magnetic Resonance (SSNMR) signal of a lipid-reconstituted integral membrane protein proteorhodopsin (PR). A matrix-free PR formulation for DNP improved the absolute sensitivity of NMR signal by a factor of ca. 4 compared to a conventional preparation with TOTAPOL dispersed in a glassy glycerol/water matrix. DNP enhancements measured at 400 MHz/263 GHz and 600 MHz/395 GHz showed a strong field dependence but remained moderate at both fields, and comparable to those obtained for PR covalently modified with ToSMTSL. Additional continuous wave (CW) X-band electron paramagnetic resonance (EPR) experiments with ToSMTSL-PTE in solutions and in lipid bilayers revealed that an unfavorable conformational change of the linker connecting mononitroxides could be one of the reasons for moderate DNP enhancements. Further, differential scanning calorimetry (DSC) and CW EPR experiments indicated an inhomogeneous distribution and/or a possibility of a partial aggregation of ToSMTSL-PTE in DMPC:DMPA bilayers when the concentration of the polarizing agent was increased to 20 mol% to maximize the DNP enhancement. Thus, conformational changes and an inhomogeneous distribution of the lipid-based biradicals in lipid bilayers emerged as important factors to consider for further development of this matrix-free approach for DNP of membrane proteins.

PMID: 31029957 [PubMed - as supplied by publisher]

More...

Did you find this post helpful?

Similar Threads
Thread	Thread Starter	Forum	Replies	Last Post
Improving Sensitivity of Solid-state NMR Spectroscopy by Rational Design of Polarizing Agents for Dynamic Nuclear Polarization #DNPNMR From The DNP-NMR Blog: Improving Sensitivity of Solid-state NMR Spectroscopy by Rational Design of Polarizing Agents for Dynamic Nuclear Polarization #DNPNMR Kubicki, D.J. and L. Emsley, Improving Sensitivity of Solid-state NMR Spectroscopy by Rational Design of Polarizing Agents for Dynamic Nuclear Polarization. Chimia (Aarau), 2017. 71(4): p. 190-194. https://www.ncbi.nlm.nih.gov/pubmed/28446334	nmrlearner	News from NMR blogs	0	05-21-2018 06:16 PM
Characterization of Membrane Proteins in Isolated Native Cellular Membranes by Dynamic Nuclear Polarization Solid-State NMR Spectroscopy without Purification and Reconstitution From The DNP-NMR Blog: Characterization of Membrane Proteins in Isolated Native Cellular Membranes by Dynamic Nuclear Polarization Solid-State NMR Spectroscopy without Purification and Reconstitution Jacso, T., et al., Characterization of Membrane Proteins in Isolated Native Cellular Membranes by Dynamic Nuclear Polarization Solid-State NMR Spectroscopy without Purification and Reconstitution. Angewandte Chemie, 2012. 124(2): p. 447-450. http://dx.doi.org/10.1002/ange.201104987	nmrlearner	News from NMR blogs	0	12-31-2015 12:20 AM
Cysteine-Specific Labeling of Proteins with a Nitroxide Biradical for Dynamic Nuclear Polarization NMR From The DNP-NMR Blog: Cysteine-Specific Labeling of Proteins with a Nitroxide Biradical for Dynamic Nuclear Polarization NMR Voinov, M.A., et al., Cysteine-Specific Labeling of Proteins with a Nitroxide Biradical for Dynamic Nuclear Polarization NMR. J Phys Chem B, 2015. 119(32): p. 10180-90. http://www.ncbi.nlm.nih.gov/pubmed/26230514	nmrlearner	News from NMR blogs	0	11-17-2015 02:02 AM
Cysteine-Specific Labeling of Proteins with a Nitroxide Biradical for Dynamic Nuclear Polarization NMR From The DNP-NMR Blog: Cysteine-Specific Labeling of Proteins with a Nitroxide Biradical for Dynamic Nuclear Polarization NMR Voinov, M.A., et al., Cysteine-Specific Labeling of Proteins with a Nitroxide Biradical for Dynamic Nuclear Polarization NMR. J Phys Chem B, 2015. 119(32): p. 10180-90. http://www.ncbi.nlm.nih.gov/pubmed/26230514	nmrlearner	News from NMR blogs	0	08-24-2015 06:42 PM
[NMR paper] Cysteine-Specific Labeling of Proteins with a Nitroxide Biradical for Dynamic Nuclear Polarization NMR. Cysteine-Specific Labeling of Proteins with a Nitroxide Biradical for Dynamic Nuclear Polarization NMR. Related Articles Cysteine-Specific Labeling of Proteins with a Nitroxide Biradical for Dynamic Nuclear Polarization NMR. J Phys Chem B. 2015 Jul 31; Authors: Voinov MA, Good DB, Ward ME, Milikisiyants S, Marek A, Caporini MA, Rosay M, Munro RA, Ljumovic M, Brown LS, Ladizhansky V, Smirnov AI Abstract Dynamic nuclear polarization (DNP) enhances the signal in solid-state NMR of proteins by transferring polarization from...	nmrlearner	Journal club	0	08-02-2015 07:10 AM
Cellular solid-state NMR investigation of a membrane protein using dynamic nuclear polarization From The DNP-NMR Blog: Cellular solid-state NMR investigation of a membrane protein using dynamic nuclear polarization Yamamoto, K., et al., Cellular solid-state NMR investigation of a membrane protein using dynamic nuclear polarization. Biochimica et Biophysica Acta (BBA) - Biomembranes, 2015. 1848(1, Part B): p. 342-349. http://dx.doi.org/10.1016/j.bbamem.2014.07.008	nmrlearner	News from NMR blogs	0	05-04-2015 04:19 PM
Cellular Solid-State NMR Investigation of a Membrane Protein Using Dynamic Nuclear Polarization Cellular Solid-State NMR Investigation of a Membrane Protein Using Dynamic Nuclear Polarization Publication date: Available online 11 July 2014 Source:Biochimica et Biophysica Acta (BBA) - Biomembranes</br> Author(s): Kazutoshi Yamamoto , Marc A. Caporini , Sang-Choul Im , Lucy Waskell , Ayyalusamy Ramamoorthy</br> While an increasing number of structural biology studies successfully demonstrate the power of high-resolution structures and dynamics of membrane proteins in fully understanding their function, there is considerable interest in developing NMR...	nmrlearner	Journal club	0	07-12-2014 04:28 AM
TEMPOL as a polarizing agent for dynamic nuclear polarization of aqueous solutions From The DNP-NMR Blog: TEMPOL as a polarizing agent for dynamic nuclear polarization of aqueous solutions Gafurov, M., TEMPOL as a polarizing agent for dynamic nuclear polarization of aqueous solutions. Magn. Reson. Solids., 2013. 15: p. 13103. http://mrsej.ksu.ru/contents.html#13103	nmrlearner	News from NMR blogs	0	05-03-2013 02:26 PM

« Previous Thread | Next Thread »

Posting Rules
You may not post new threads You may not post replies You may not post attachments You may not edit your posts BB code is On Smilies are On [IMG] code is On HTML code is On Trackbacks are Off Pingbacks are Off Refbacks are Off