Hyperpolarized Water to Study Protein–Ligand Interactions

		BioNMR > NMR community > News from NMR blogs
Hyperpolarized Water to Study Protein–Ligand Interactions

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:

View First Unread

Thread Tools

Search this Thread

Rate Thread

Display Modes

06-06-2015, 12:01 PM

nmrlearner

Senior Member

Join Date: Jan 2005

Posts: 23,185

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

Hyperpolarized Water to Study Protein–Ligand Interactions

From The DNP-NMR Blog:

Hyperpolarized Water to Study Protein–Ligand Interactions

Chappuis, Q., et al., Hyperpolarized Water to Study Protein–Ligand Interactions. The Journal of Physical Chemistry Letters, 2015. 6(9): p. 1674-1678.

http://dx.doi.org/10.1021/acs.jpclett.5b00403

The affinity between a chosen target protein and small molecules is a key aspect of drug discovery. Screening by popular NMR methods such as Water-LOGSY suffers from low sensitivity and from false positives caused by aggregated or denatured proteins. This work demonstrates that the sensitivity of Water-LOGSY can be greatly boosted by injecting hyperpolarized water into solutions of proteins and ligands. Ligand binding can be detected in a few seconds, whereas about 30 min is usually required without hyperpolarization. Hyperpolarized water also enhances proton signals of proteins at concentrations below 20 ?M so that one can verify in a few seconds whether the proteins remain intact or have been denatured

Go to The DNP-NMR Blog for more info.

Did you find this post helpful?

Similar Threads
Thread	Thread Starter	Forum	Replies	Last Post
STD and trNOESY NMR study of receptor-ligand interactions in living cancer cells. STD and trNOESY NMR study of receptor-ligand interactions in living cancer cells. STD and trNOESY NMR study of receptor-ligand interactions in living cancer cells. Chembiochem. 2011 Mar 21;12(5):695-9 Authors: Potenza D, Vasile F, Belvisi L, Civera M, Araldi EM	nmrlearner	Journal club	0	07-19-2011 07:52 PM
[Question from NMRWiki Q&A forum] protein-ligand interactions 2D NMR protein-ligand interactions 2D NMR I want to judge ligand protein interactions. Mine one is a dimer protein. Other than HSQC perturbation which other 2DNMR experiments useful to know the interaction? Check if somebody has answered this question on NMRWiki QA forum	nmrlearner	News from other NMR forums	0	05-18-2011 08:51 PM
[NMR paper] NMR studies of protein-ligand interactions. NMR studies of protein-ligand interactions. Related Articles NMR studies of protein-ligand interactions. Methods Mol Biol. 2005;305:197-214 Authors: Maurer T Interaction between biological macromolecules or of macromolecules with low-molecular-weight ligands is a central paradigm in the understanding of function in biological systems. It is also the major goal in pharmaceutical research to find and optimize ligands that modulate the function of biological macromolecules. Both technological advances and new methods in the field of nuclear...	nmrlearner	Journal club	0	11-24-2010 11:14 PM
[NMR paper] Studies of protein-ligand interactions by NMR. Studies of protein-ligand interactions by NMR. Related Articles Studies of protein-ligand interactions by NMR. Biochem Soc Trans. 2003 Oct;31(Pt 5):1006-9 Authors: Clarkson J, Campbell ID Solution-state NMR has become an accepted method for studying the structure of small proteins in solution. This has resulted in over 3000 NMR-based co-ordinate sets being deposited in the Protein Databank. It is becoming increasingly apparent, however, that NMR is also a very powerful tool for accessing interactions between macromolecules and various ligands....	nmrlearner	Journal club	0	11-24-2010 09:16 PM
[NMR paper] Studies of protein-ligand interactions by NMR. Studies of protein-ligand interactions by NMR. Related Articles Studies of protein-ligand interactions by NMR. Methods Mol Biol. 1997;60:195-232 Authors: Craik DJ, Wilce JA	nmrlearner	Journal club	0	08-22-2010 03:31 PM
[NMR paper] Studies of protein-ligand interactions by NMR. Studies of protein-ligand interactions by NMR. Related Articles Studies of protein-ligand interactions by NMR. Methods Mol Biol. 1997;60:195-232 Authors: Craik DJ, Wilce JA	nmrlearner	Journal club	0	08-22-2010 03:03 PM
[NMR paper] NMR study of collagen-water interactions. NMR study of collagen-water interactions. Related Articles NMR study of collagen-water interactions. Biopolymers. 1994 Dec;34(12):1615-26 Authors: Renou JP, Bonnet M, Bielicki G, Rochdi A, Gatellier P A proton magnetic resonance study of different cross-linked collagens was performed as a function of water content and temperature. Collagens from three connective tissues (calf, steer, and cow) were chosen according to the different number of nonreducible multivalent cross-links, which increases during the life of animal. Samples were hydrated...	nmrlearner	Journal club	0	08-22-2010 03:29 AM
[NMR paper] On the ligand-protein and ligand-flavin interactions in NADPH-adrenodoxin reductase a On the ligand-protein and ligand-flavin interactions in NADPH-adrenodoxin reductase as studied by 31P- and 13C-NMR. Use of 13C-enriched FAD as a probe. Related Articles On the ligand-protein and ligand-flavin interactions in NADPH-adrenodoxin reductase as studied by 31P- and 13C-NMR. Use of 13C-enriched FAD as a probe. J Biochem. 1991 Jan;109(1):144-9 Authors: Fujii S, Nonaka Y, Okamoto M, Miura R The interaction between 2',5'-ADP and NADPH-adrenodoxin reductase from bovine adrenocortical mitochondria was examined by titrating the enzyme with...	nmrlearner	Journal club	0	08-21-2010 11:16 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 Off Trackbacks are Off Pingbacks are Off Refbacks are Off