NMR paper Ordering effect of protein surfaces on water dynamics: NMR relaxation study.

		BioNMR > Educational resources > Journal club
[NMR paper] Ordering effect of protein surfaces on water dynamics: NMR relaxation study.

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

04-14-2019, 10:41 AM

nmrlearner

Senior Member

Join Date: Jan 2005

Posts: 23,732

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

Ordering effect of protein surfaces on water dynamics: NMR relaxation study.

Ordering effect of protein surfaces on water dynamics: NMR relaxation study.

Ordering effect of protein surfaces on water dynamics: NMR relaxation study.

Biophys Chem. 2019 Apr 08;249:106149

Authors: Bonechi C, Tamasi G, Pardini A, Donati A, Volpi V, Leone G, Consumi M, Magnani A, Rossi C

Abstract
Proteins in solution affect the structural and dynamic properties of the bulk water at the protein-water interface, resulting in a contribution to the order of the hydration water. Theoretical and experimental NMR relaxation methods were developed to study the dynamic properties of water molecules in the protein hydration shell. Water non-selective and selective relaxation rates, were shown to be sensitive to contributions from ordered solvent molecules at protein surface. The average rotational correlation time of water molecules in the protein hydration shell was determined for three protein systems of different size: ribonuclease A, human serum albumin and fibrinogen. The knowledge of these properties is an important step toward the determination of the size of the water ordering contributions originate in proteins systems.

PMID: 30981137 [PubMed - as supplied by publisher]

More...

Did you find this post helpful?

Similar Threads
Thread	Thread Starter	Forum	Replies	Last Post
15 N transverse relaxation measurements for the characterization of Âµsâ??ms dynamics are deteriorated by the deuterium isotope effect on 15 N resulting from solvent exchange 15 N transverse relaxation measurements for the characterization of Âµsâ??ms dynamics are deteriorated by the deuterium isotope effect on 15 N resulting from solvent exchange Abstract 15N R2 relaxation measurements are key for the elucidation of the dynamics of both folded and intrinsically disordered proteins (IDPs). Here we show, on the example of the intrinsically disordered protein Î±-synuclein and the folded domain PDZ2, that at physiological pH and near physiological temperatures amideâ??water exchange can severely skew Hahn-echo based 15N R2...	nmrlearner	Journal club	0	11-25-2018 06:02 AM
Quantitative cw Overhauser effect dynamic nuclear polarization for the analysis of local water dynamics From The DNP-NMR Blog: Quantitative cw Overhauser effect dynamic nuclear polarization for the analysis of local water dynamics Franck, J.M., et al., Quantitative cw Overhauser effect dynamic nuclear polarization for the analysis of local water dynamics. Prog Nucl Magn Reson Spectrosc, 2013. 74(0): p. 33-56. http://www.ncbi.nlm.nih.gov/pubmed/24083461	nmrlearner	News from NMR blogs	0	11-21-2013 01:14 AM
Deuterium Magic Angle Spinning NMR Used to Study the Dynamics of Peptides Adsorbed onto Polystyrene and Functionalized Polystyrene Surfaces. Deuterium Magic Angle Spinning NMR Used to Study the Dynamics of Peptides Adsorbed onto Polystyrene and Functionalized Polystyrene Surfaces. Deuterium Magic Angle Spinning NMR Used to Study the Dynamics of Peptides Adsorbed onto Polystyrene and Functionalized Polystyrene Surfaces. J Phys Chem B. 2011 Jun 8; Authors: Breen NF, Li K, Olsen GL, Drobny GP LK?14 is a 14 amino acid peptide which displays a periodic alternation of leucine and lysine amino acids. This "hydrophobic periodicity" has been found to result in an ?-helical secondary structure...	nmrlearner	Journal club	0	06-10-2011 11:52 AM
[NMR paper] Side chain dynamics in unfolded protein states: an NMR based 2H spin relaxation study Side chain dynamics in unfolded protein states: an NMR based 2H spin relaxation study of delta131delta. Related Articles Side chain dynamics in unfolded protein states: an NMR based 2H spin relaxation study of delta131delta. J Am Chem Soc. 2003 Feb 19;125(7):1748-58 Authors: Choy WY, Shortle D, Kay LE NMR relaxation data on disordered proteins can provide insight into both structural and dynamic properties of these molecules. Because of chemical shift degeneracy in correlation spectra, detailed site-specific analyses of side chain dynamics...	nmrlearner	Journal club	0	11-24-2010 09:01 PM
[NMR paper] Effect of thermal denaturation on water-collagen interactions: NMR relaxation and dif Effect of thermal denaturation on water-collagen interactions: NMR relaxation and differential scanning calorimetry analysis. Related Articles Effect of thermal denaturation on water-collagen interactions: NMR relaxation and differential scanning calorimetry analysis. Biopolymers. 1999 Dec;50(7):690-6 Authors: Rochdi A, Foucat L, Renou JP The dependence of the proton spin-lattice relaxation rate, and of the enthalpy and temperature of denaturation on water content, were studied by nmr and differential scanning calorimetry (DSC) in native and...	nmrlearner	Journal club	0	11-18-2010 08:31 PM
Hydration water dynamics in biopolymers from NMR relaxation in the rotating frame. Hydration water dynamics in biopolymers from NMR relaxation in the rotating frame. Related Articles Hydration water dynamics in biopolymers from NMR relaxation in the rotating frame. J Magn Reson. 2010 Sep 24; Authors: Blicharska B, Peemoeller H, Witek M Assuming dipole-dipole interaction as the dominant relaxation mechanism of protons of water molecules adsorbed onto macromolecule (biopolymer) surfaces we have been able to model the dependences of relaxation rates on temperature and frequency. For adsorbed water molecules the correlation times are...	nmrlearner	Journal club	0	10-22-2010 04:33 PM
[NMR paper] Ferritin effect on the transverse relaxation of water: NMR microscopy at 9.4 T. Ferritin effect on the transverse relaxation of water: NMR microscopy at 9.4 T. Related Articles Ferritin effect on the transverse relaxation of water: NMR microscopy at 9.4 T. Magn Reson Med. 1996 Apr;35(4):514-20 Authors: Gottesfeld Z, Neeman M Accumulation of ferritin, the iron storage protein, has been linked recently to aging and a number of pathologies. Noninvasive detection of iron storage by MRI relies on its extremely strong effect on water relaxation. The aim of this article is to characterize the effect of ferritin on transverse...	nmrlearner	Journal club	0	08-22-2010 02:27 PM
[NMR paper] A 31P-NMR spin-lattice relaxation and 31P[1H] nuclear Overhauser effect study of soni A 31P-NMR spin-lattice relaxation and 31P nuclear Overhauser effect study of sonicated small unilamellar phosphatidylcholine vesicles. http://www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--linkinghub.elsevier.com-ihub-images-PubMedLink.gif Related Articles A 31P-NMR spin-lattice relaxation and 31P nuclear Overhauser effect study of sonicated small unilamellar phosphatidylcholine vesicles. Biochim Biophys Acta. 1992 Feb 17;1104(1):137-46 Authors: Tauskela JS, Thompson M The motional properties of the inner and outer monolayer headgroups of...	nmrlearner	Journal club	0	08-21-2010 11:41 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