NMR paper Harnessing NMR relaxation interference effects to characterise supramolecular assemblies.

		BioNMR > Educational resources > Journal club
[NMR paper] Harnessing NMR relaxation interference effects to characterise supramolecular assemblies.

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

04-29-2016, 06:31 PM

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

Harnessing NMR relaxation interference effects to characterise supramolecular assemblies.

Harnessing NMR relaxation interference effects to characterise supramolecular assemblies.

Related Articles Harnessing NMR relaxation interference effects to characterise supramolecular assemblies.

Chem Commun (Camb). 2016 Apr 28;

Authors: Karunanithy G, Cnossen A, Müller H, Peeks MD, Rees NH, Claridge TD, Anderson HL, Baldwin AJ

Abstract
Solution-state NMR spectroscopy remains the primary method for characterising synthetic supramolecular assemblies. Yet, in their NMR spectra, relaxation interference effects can significantly alter peak intensities hindering interpretation. Here, we present a simple experiment for synthetic chemists to analyse this effect, allowing interpretation of these distorted spectra and validation of spectral assignments. We apply this experiment to synthetic porphyrin oligomers with molecular weights approaching those of protein domains (10 kDa). Our experiment provides a simple means to gain additional structural and dynamical information that will become increasingly useful as chemists create larger molecular architectures.

PMID: 27122082 [PubMed - as supplied by publisher]

More...

Did you find this post helpful?

Similar Threads
Thread	Thread Starter	Forum	Replies	Last Post
Harnessing insulation: Magnetic clue Harnessing insulation: Magnetic clue http://www.spectroscopynow.com/common/images/thumbnails/14cb69ea9eb.jpgA subatomic magnetic phenomenon predicted more than sixty years ago has been measured for the first time. The demonstration of van Vleck magnetism could open the door to harnessing topological insulators - hybrid materials that are both conducting and insulating - and may well lead to new approaches to quantum computing, spintronics applications, and much-improved semiconductors. Read the rest at Spectroscopynow.com	nmrlearner	General	0	04-15-2015 04:40 PM
[NMR paper] Strategies for solid-state NMR investigations of supramolecular assemblies with large subunit sizes. Strategies for solid-state NMR investigations of supramolecular assemblies with large subunit sizes. Related Articles Strategies for solid-state NMR investigations of supramolecular assemblies with large subunit sizes. J Magn Reson. 2014 Nov 15; Authors: Fricke P, Chevelkov V, Shi C, Lange A Abstract Solid-state NMR is a versatile tool to study structure and dynamics of insoluble and non-crystalline biopolymers. Supramolecular protein assemblies are formed by self-association of multiple copies of single small-sized...	nmrlearner	Journal club	0	12-10-2014 06:29 PM
[NMR paper] Strategies for solid-state NMR investigations of supramolecular assemblies with large subunit sizes Strategies for solid-state NMR investigations of supramolecular assemblies with large subunit sizes Publication date: Available online 15 November 2014 Source:Journal of Magnetic Resonance</br> Author(s): Pascal Fricke , Veniamin Chevelkov , Chaowei Shi , Adam Lange</br> Solid-state NMR is a versatile tool to study structure and dynamics of insoluble and non-crystalline biopolymers. Supramolecular protein assemblies are formed by self-association of multiple copies of single small-sized proteins. Because of their high degree of local order, solid-state NMR...	nmrlearner	Journal club	0	11-16-2014 02:13 AM
Translational Diffusion of Macromolecular Assemblies Measured Using Transverse-Relaxation-Optimized Pulsed Field Gradient NMR Translational Diffusion of Macromolecular Assemblies Measured Using Transverse-Relaxation-Optimized Pulsed Field Gradient NMR Reto Horst, Arthur L. Horwich and Kurt Wu?thrich http://pubs.acs.org/appl/literatum/publisher/achs/journals/content/jacsat/0/jacsat.ahead-of-print/ja206531c/aop/images/medium/ja-2011-06531c_0003.gif Journal of the American Chemical Society DOI: 10.1021/ja206531c http://feeds.feedburner.com/~ff/acs/jacsat?d=yIl2AUoC8zA http://feeds.feedburner.com/~r/acs/jacsat/~4/NWK45WCbths	nmrlearner	Journal club	0	09-26-2011 06:54 PM
Translational diffusion of macromolecular assemblies measured using transverse relaxation-optimized PFG-NMR. Translational diffusion of macromolecular assemblies measured using transverse relaxation-optimized PFG-NMR. Translational diffusion of macromolecular assemblies measured using transverse relaxation-optimized PFG-NMR. J Am Chem Soc. 2011 Sep 16; Authors: Horst R, Horwich AL, Wüthrich K Abstract ABSTRACT In structural biology, pulsed field gradient (PFG) NMR for characterization of size and hydrodynamic parameters of macromolecular solutes has the advantage over other techniques that the measurements can be recorded with identical solution...	nmrlearner	Journal club	0	09-17-2011 08:21 PM
A systematic mutagenesis-driven strategy for site-resolved NMR studies of supramolecular assemblies A systematic mutagenesis-driven strategy for site-resolved NMR studies of supramolecular assemblies Abstract Obtaining sequence-specific assignments remains a major bottleneck in solution NMR investigations of supramolecular structure, dynamics and interactions. Here we demonstrate that resonance assignment of methyl probes in high molecular weight protein assemblies can be efficiently achieved by combining fast NMR experiments, residue-type-specific isotope-labeling and automated site-directed mutagenesis. The utility of this general and straightforward strategy is demonstrated through...	nmrlearner	Journal club	0	06-06-2011 12:53 AM
A systematic mutagenesis-driven strategy for site-resolved NMR studies of supramolecular assemblies. A systematic mutagenesis-driven strategy for site-resolved NMR studies of supramolecular assemblies. A systematic mutagenesis-driven strategy for site-resolved NMR studies of supramolecular assemblies. J Biomol NMR. 2011 May 29; Authors: Amero C, Asunción Durá M, Noirclerc-Savoye M, Perollier A, Gallet B, Plevin MJ, Vernet T, Franzetti B, Boisbouvier J Obtaining sequence-specific assignments remains a major bottleneck in solution NMR investigations of supramolecular structure, dynamics and interactions. Here we demonstrate that resonance...	nmrlearner	Journal club	0	06-01-2011 02:30 PM
[NMR paper] Effective rotational correlation times of proteins from NMR relaxation interference. Effective rotational correlation times of proteins from NMR relaxation interference. Related Articles Effective rotational correlation times of proteins from NMR relaxation interference. J Magn Reson. 2006 Jan;178(1):72-6 Authors: Lee D, Hilty C, Wider G, Wüthrich K Knowledge of the effective rotational correlation times, tauc, for the modulation of anisotropic spin-spin interactions in macromolecules subject to Brownian motion in solution is of key interest for the practice of NMR spectroscopy in structural biology. The value of tauc enables...	nmrlearner	Journal club	0	12-01-2010 06:56 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