NMR paper Characterization of conformational heterogeneity via higher-dimensionality, proton-detected solid-state NMR

		BioNMR > Educational resources > Journal club
[NMR paper] Characterization of conformational heterogeneity via higher-dimensionality, proton-detected solid-state NMR

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

09-26-2022, 02:08 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

Characterization of conformational heterogeneity via higher-dimensionality, proton-detected solid-state NMR

Characterization of conformational heterogeneity via higher-dimensionality, proton-detected solid-state NMR

Site-specific heterogeneity of solid protein samples can be exploited as valuable information to answer biological questions ranging from thermodynamic properties determining fibril formation to protein folding and conformational stability upon stress. In particular, for proteins of increasing molecular weight, however, site-resolved assessment without residue-specific labeling is challenging using established methodology, which tends to rely on carbon-detected 2D correlations. Here we develop...

More...

Did you find this post helpful?

Similar Threads
Thread	Thread Starter	Forum	Replies	Last Post
Characterization of conformational heterogeneity via higher-dimensionality, proton-detected solid-state NMR Characterization of conformational heterogeneity via higher-dimensionality, proton-detected solid-state NMR Abstract Site-specific heterogeneity of solid protein samples can be exploited as valuable information to answer biological questions ranging from thermodynamic properties determining fibril formation to protein folding and conformational stability upon stress. In particular, for proteins of increasing molecular weight, however, site-resolved assessment without residue-specific labeling is challenging using established methodology, which tends...	nmrlearner	Journal club	0	09-26-2022 02:08 AM
Characterization of H/D exchange in type 1 pili by proton-detected solid-state NMR and molecular dynamics simulations Characterization of H/D exchange in type 1 pili by proton-detected solid-state NMR and molecular dynamics simulations Abstract Uropathogenic Escherichia coli invades and colonizes hosts by attaching to cells using adhesive pili on the bacterial surface. Although many biophysical techniques have been used to study the structure and mechanical properties of pili, many important details are still unknown. Here we use proton-detected solid-state NMR experiments to investigate solvent accessibility and structural dynamics. Deuterium back-exchange at labile...	nmrlearner	Journal club	0	04-26-2019 03:47 PM
Conformational heterogeneity in the Hsp70 chaperone-substrate ensemble identified from analysis of NMR-detected titration data Conformational heterogeneity in the Hsp70 chaperone-substrate ensemble identified from analysis of NMR-detected titration data Abstract The Hsp70 chaperone system plays a critical role in cellular homeostasis by binding to client protein molecules. We have recently shown by methyl-TROSY NMR methods that the Escherichia coli Hsp70, DnaK, can form multiple bound complexes with a small client protein, hTRF1. In an effort to characterize the interactions further we report here the results of an NMR-based titration study of hTRF1 and DnaK, where both molecular components are monitored...	nmrlearner	Journal club	0	09-18-2017 10:41 AM
[NMR paper] Conformational heterogeneity in the Hsp70 chaperone-substrate ensemble: identified from analysis of NMR-detected titration data. Conformational heterogeneity in the Hsp70 chaperone-substrate ensemble: identified from analysis of NMR-detected titration data. Related Articles Conformational heterogeneity in the Hsp70 chaperone-substrate ensemble: identified from analysis of NMR-detected titration data. Protein Sci. 2017 Aug 19;: Authors: Sekhar A, Nagesh J, Rosenzweig R, Kay LE Abstract The Hsp70 chaperone system plays a critical role in cellular homeostasis by binding to client protein molecules. We have recently shown by methyl-TROSY NMR methods that...	nmrlearner	Journal club	0	08-25-2017 04:11 AM
[NMR paper] Proton-Detected NMR Spectroscopy of Nanodisc-Embedded Membrane Proteins: MAS Solid-State vs. Solution-State Methods. Proton-Detected NMR Spectroscopy of Nanodisc-Embedded Membrane Proteins: MAS Solid-State vs. Solution-State Methods. http://www.bionmr.com//www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--pubs.acs.org-images-pubmed-acspubs.jpg Related Articles Proton-Detected NMR Spectroscopy of Nanodisc-Embedded Membrane Proteins: MAS Solid-State vs. Solution-State Methods. J Phys Chem B. 2017 Jul 24;: Authors: Lakomek NA, Frey L, Bibow S, Böckmann A, Riek R, Meier BH Abstract The structural and dynamical characterization of membrane proteins...	nmrlearner	Journal club	0	07-25-2017 07:46 PM
[NMR paper] Information content of long-range NMR data for the characterization of conformational heterogeneity. Information content of long-range NMR data for the characterization of conformational heterogeneity. Related Articles Information content of long-range NMR data for the characterization of conformational heterogeneity. J Biomol NMR. 2015 Jun 5; Authors: Andra?oj? W, Berlin K, Fushman D, Luchinat C, Parigi G, Ravera E, Sgheri L Abstract Long-range NMR data, namely residual dipolar couplings (RDCs) from external alignment and paramagnetic data, are becoming increasingly popular for the characterization of conformational...	nmrlearner	Journal club	0	06-06-2015 12:01 PM
Information content of long-range NMR data for the characterization of conformational heterogeneity Information content of long-range NMR data for the characterization of conformational heterogeneity Abstract Long-range NMR data, namely residual dipolar couplings (RDCs) from external alignment and paramagnetic data, are becoming increasingly popular for the characterization of conformational heterogeneity of multidomain biomacromolecules and protein complexes. The question addressed here is how much information is contained in these averaged data. We have analyzed and compared the information content of conformationally averaged RDCs caused by...	nmrlearner	Journal club	0	06-05-2015 01:10 AM
High-field ELDOR-detected NMR study of a nitroxide radical in disordered solids:Towards characterization of heterogeneity of microenvironments in spin-labeled systems High-field ELDOR-detected NMR study of a nitroxide radical in disordered solids:Towards characterization of heterogeneity of microenvironments in spin-labeled systems Publication date: Available online 12 March 2014 Source:Journal of Magnetic Resonance</br> Author(s): Anna Nalepa , Klaus Möbius , Wolfgang Lubitz , Anton Savitsky</br> The combination of high-field EPR with site-directed spin-labeling (SDSL) techniques employing nitroxide radicals has turned out to be particularly powerful in probing the polarity and proticity characteristics of protein/matrix...	nmrlearner	Journal club	0	03-12-2014 01:35 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