NMR paper Predictive Atomic Resolution Descriptions of Intrinsically Disordered hTau40 and ?-Synuclein in Solution from NMR and Small Angle Scattering.

		BioNMR > Educational resources > Journal club
[NMR paper] Predictive Atomic Resolution Descriptions of Intrinsically Disordered hTau40 and ?-Synuclein in Solution from NMR and Small Angle Scattering.

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

12-24-2013, 01:04 PM

nmrlearner

Senior Member

Join Date: Jan 2005

Posts: 23,174

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

Predictive Atomic Resolution Descriptions of Intrinsically Disordered hTau40 and ?-Synuclein in Solution from NMR and Small Angle Scattering.

Predictive Atomic Resolution Descriptions of Intrinsically Disordered hTau40 and ?-Synuclein in Solution from NMR and Small Angle Scattering.

Related Articles Predictive Atomic Resolution Descriptions of Intrinsically Disordered hTau40 and ?-Synuclein in Solution from NMR and Small Angle Scattering.

Structure. 2013 Dec 18;

Authors: Schwalbe M, Ozenne V, Bibow S, Jaremko M, Jaremko L, Gajda M, Jensen MR, Biernat J, Becker S, Mandelkow E, Zweckstetter M, Blackledge M

Abstract
The development of molecular descriptions of intrinsically disordered proteins (IDPs) is essential for elucidating conformational transitions that characterize common neurodegenerative disorders. We use nuclear magnetic resonance, small angle scattering, and molecular ensemble approaches to characterize the IDPs Tau and ?-synuclein. Ensemble descriptions of IDPs are highly underdetermined due to the inherently large number of degrees of conformational freedom compared with available experimental measurements. Using extensive cross-validation we show that five different types of independent experimental parameters are predicted more accurately by selected ensembles than by statistical coil descriptions. The improvement increases in regions whose local sampling deviates from statistical coil, validating the derived conformational description. Using these approaches we identify enhanced polyproline II sampling in aggregation-nucleation sites, supporting suggestions that this region of conformational space is important for aggregation.

PMID: 24361273 [PubMed - as supplied by publisher]

More...

Did you find this post helpful?

Similar Threads
Thread	Thread Starter	Forum	Replies	Last Post
[NMR paper] Solid-State (13)C NMR Reveals Annealing of Raft-Like Membranes Containing Cholesterol by the Intrinsically Disordered Protein ?-Synuclein. Solid-State (13)C NMR Reveals Annealing of Raft-Like Membranes Containing Cholesterol by the Intrinsically Disordered Protein ?-Synuclein. Related Articles Solid-State (13)C NMR Reveals Annealing of Raft-Like Membranes Containing Cholesterol by the Intrinsically Disordered Protein ?-Synuclein. J Mol Biol. 2013 Apr 11; Authors: Leftin A, Job C, Beyer K, Brown MF Abstract Misfolding and aggregation of the intrinsically disordered protein ?-Synuclein (?S) in Lewy body plaques is a characteristic marker of late-stage Parkinson's disease. It is...	nmrlearner	Journal club	0	04-16-2013 07:46 PM
Solid-State 13C NMR Reveals Annealing of Raft-Like Membranes Containing Cholesterol by the Intrinsically Disordered Protein ?-Synuclein Solid-State 13C NMR Reveals Annealing of Raft-Like Membranes Containing Cholesterol by the Intrinsically Disordered Protein ?-Synuclein Publication date: Available online 11 April 2013 Source:Journal of Molecular Biology</br> Author(s): Avigdor Leftin , Constantin Job , Klaus Beyer , Michael F. Brown</br> Misfolding and aggregation of the intrinsically disordered protein ?-Synuclein (?S) in Lewy body plaques is a characteristic marker of late-stage Parkinson’s disease. It is well established that membrane binding is initiated at the N-terminus of the protein and...	nmrlearner	Journal club	0	04-11-2013 09:27 PM
[NMR paper] Describing intrinsically disordered proteins at atomic resolution by NMR. Describing intrinsically disordered proteins at atomic resolution by NMR. Related Articles Describing intrinsically disordered proteins at atomic resolution by NMR. Curr Opin Struct Biol. 2013 Mar 29; Authors: Jensen MR, Ruigrok RW, Blackledge M Abstract There is growing interest in the development of physical methods to study the conformational behaviour and biological activity of intrinsically disordered proteins (IDPs). In this review recent advances in the elucidation of quantitative descriptions of disordered proteins from...	nmrlearner	Journal club	0	04-03-2013 08:22 PM
Describing intrinsically disordered proteins at atomic resolution by NMR Describing intrinsically disordered proteins at atomic resolution by NMR Available online 29 March 2013 Publication year: 2013 Source:Current Opinion in Structural Biology</br> </br> There is growing interest in the development of physical methods to study the conformational behaviour and biological activity of intrinsically disordered proteins (IDPs). In this review recent advances in the elucidation of quantitative descriptions of disordered proteins from nuclear magnetic resonance spectroscopy are presented. Ensemble approaches are particularly well adapted to map the...	nmrlearner	Journal club	0	03-29-2013 07:52 PM
Small Angle X-Ray Scattering and the Determination of Protein Shape - Azom.com Small Angle X-Ray Scattering and the Determination of Protein Shape - Azom.com http://www.bionmr.com//nt1.ggpht.com/news/tbn/iU2tlbV3PRWsOM/6.jpg Azom.com <img alt="" height="1" width="1" /> Small Angle X-Ray Scattering and the Determination of Protein Shape Azom.com The low resolution 3D structure obtained by ab-initio methods is an important additional data to the high resolution structures obtained by protein crystallography and NMR. This article discusses the application of SAXSess mc system from Anton Paar to ... and more »	nmrlearner	Online News	0	02-20-2013 06:24 PM
Deuterium isotope shifts for backbone 1H, 15N and 13C nuclei in intrinsically disordered protein Î±-synuclein Deuterium isotope shifts for backbone 1H, 15N and 13C nuclei in intrinsically disordered protein Î±-synuclein Abstract Intrinsically disordered proteins (IDPs) are abundant in nature and characterization of their potential structural propensities remains a widely pursued but challenging task. Analysis of NMR secondary chemical shifts plays an important role in such studies, but the output of such analyses depends on the accuracy of reference random coil chemical shifts. Although uniform perdeuteration of IDPs can dramatically increase spectral resolution, a feature particularly...	nmrlearner	Journal club	0	09-10-2012 01:48 AM
NMR and Small Angle Scattering-based structural analysis of protein complexes in solu NMR and Small Angle Scattering-based structural analysis of protein complexes in solution. Related Articles NMR and Small Angle Scattering-based structural analysis of protein complexes in solution. J Struct Biol. 2010 Nov 10; Authors: Madl T, Gabel F, Sattler M Structural analysis of multi-domain protein complexes is a key challenge in current biology and a prerequisite for understanding the molecular basis of essential cellular processes. The use of solution techniques is important for characterizing the quaternary arrangements and dynamics of...	nmrlearner	Journal club	0	11-16-2010 04:13 PM
Multidomain Protein Structures from NMR & Solution Small-Angle X-ray Scattering http://pubs.acs.org/isubscribe/journals/jacsat/127/i47/figures/ja054342mn00001.gif Refinement of Multidomain Protein Structures by Combination of Solution Small-Angle X-ray Scattering and NMR Data Alexander Grishaev,* Justin Wu, Jill Trewhella, and Ad Bax* Contribution from the Laboratory of Chemical Physics, NIDDK, National Institutes of Health, Bethesda, Maryland 20892-0520, Department of Biochemistry, The Ohio State University, Columbus, Ohio 43210, and Department of Chemistry, University of Utah, Salt Lake City, Utah 84112-0850 J. Am. Chem. Soc.; 2005; 127(47) pp 16621 -...	nmrlearner	Journal club	0	01-12-2006 08:23 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