NMR paper Detection of a transient intramolecular hydrogen bond using 1JNH scalar couplings

		BioNMR > Educational resources > Journal club
[NMR paper] Detection of a transient intramolecular hydrogen bond using 1JNH scalar couplings

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

04-18-2014, 01:35 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

Detection of a transient intramolecular hydrogen bond using 1JNH scalar couplings

Detection of a transient intramolecular hydrogen bond using 1JNH scalar couplings

Publication date: Available online 18 April 2014
Source:Journal of Magnetic Resonance

Author(s): ShengQi Xiang , Markus Zweckstetter

Hydrogen bonds are essential for the structure, stability and folding of proteins. The identification of intramolecular hydrogen bonds, however, is challenging, in particular in transiently folded states. Here we studied the presence of intramolecular hydrogen bonds in the folding nucleus of the coiled-coil structure of the GCN4 leucine zipper. Using one-bond 1JNH spin-spin coupling constants and hydrogen/deuterium exchange, we demonstrate that a transient intramolecular hydrogen bond is present in the partially helical folding nucleus of GCN(16-31). The data demonstrate that 1JNH couplings are a sensitive tool for the detection of transient intramolecular hydrogen bonds in challenging systems where the effective/useable protein concentration is low. This includes peptides at natural abundance but also uniformly labelled biomolecules that are limited to low concentrations because of precipitation or aggregation.
Graphical abstract

More...

Did you find this post helpful?

Similar Threads
Thread	Thread Starter	Forum	Replies	Last Post
[NMR paper] A Computational Study of the Effects of (13) C-(13) C Scalar Couplings on (13) C CEST NMR Spectra: Towards Studies on a Uniformly (13) C-Labeled Protein. A Computational Study of the Effects of (13) C-(13) C Scalar Couplings on (13) C CEST NMR Spectra: Towards Studies on a Uniformly (13) C-Labeled Protein. A Computational Study of the Effects of (13) C-(13) C Scalar Couplings on (13) C CEST NMR Spectra: Towards Studies on a Uniformly (13) C-Labeled Protein. Chembiochem. 2013 Jun 19; Authors: Vallurupalli P, Bouvignies G, Kay LE Abstract Read the label: The NMR CEST experiment can be used to reconstruct spectra of sparsely populated, transiently formed protein conformers so long as...	nmrlearner	Journal club	0	06-21-2013 01:10 PM
Accurate measurement of one-bond H-X heteronuclear dipolar couplings in MAS solid-state NMR. Accurate measurement of one-bond H-X heteronuclear dipolar couplings in MAS solid-state NMR. Accurate measurement of one-bond H-X heteronuclear dipolar couplings in MAS solid-state NMR. J Magn Reson. 2011 Mar 21; Authors: Schanda P, Meier BH, Ernst M The accurate experimental determination of dipolar-coupling constants for one-bond heteronuclear dipolar couplings in solids is a key for the quantification of the amplitudes of motional processes. Averaging of the dipolar coupling reports on motions on time scales up to the inverse of the coupling...	nmrlearner	Journal club	0	04-13-2011 11:57 PM
Accurate Measurement of One-Bond H-X Heteronuclear Dipolar Couplings in MAS Solid-State NMR Accurate Measurement of One-Bond H-X Heteronuclear Dipolar Couplings in MAS Solid-State NMR Publication year: 2011 Source: Journal of Magnetic Resonance, In Press, Accepted Manuscript, Available online 21 March 2011</br> Paul, Schanda , Beat H., Meier , Matthias, Ernst</br> The accurate experimental determination of dipolar-coupling constants for one-bond heteronuclear dipolar couplings in solids is a key for the quantification of the amplitudes of motional processes. Averaging of the dipolar coupling reports on motions on time scales up to the inverse of the coupling constant, in...	nmrlearner	Journal club	0	03-22-2011 07:30 AM
[NMR paper] NMR scalar couplings across Watson-Crick base pair hydrogen bonds in DNA observed by NMR scalar couplings across Watson-Crick base pair hydrogen bonds in DNA observed by transverse relaxation-optimized spectroscopy. Related Articles NMR scalar couplings across Watson-Crick base pair hydrogen bonds in DNA observed by transverse relaxation-optimized spectroscopy. Proc Natl Acad Sci U S A. 1998 Nov 24;95(24):14147-51 Authors: Pervushin K, Ono A, Fernández C, Szyperski T, Kainosho M, Wüthrich K This paper describes the NMR observation of 15N---15N and 1H---15N scalar couplings across the hydrogen bonds in Watson-Crick base pairs...	nmrlearner	Journal club	0	11-17-2010 11:15 PM
[NMR paper] Transient hydrogen bonds identified on the surface of the NMR solution structure of H Transient hydrogen bonds identified on the surface of the NMR solution structure of Hirudin. Related Articles Transient hydrogen bonds identified on the surface of the NMR solution structure of Hirudin. Biochemistry. 1994 Aug 9;33(31):9303-10 Authors: Szyperski T, Antuch W, Schick M, Betz A, Stone SR, WÃ¼thrich K Recombinant desulfatohirudin retains largely the thrombin-inhibitory activity of natural hirudin from Hirudo medicinalis and causes at most minimal immune response in humans. With regard to potential pharmaceutical applications it is...	nmrlearner	Journal club	0	08-22-2010 03:29 AM
MQ-HNCO-TROSY for the measurement of scalar and residual dipolar couplings in larger Abstract We describe a novel pulse sequence, MQ-HNCO-TROSY, for the measurement of scalar and residual dipolar couplings between amide proton and nitrogen in larger proteins. The experiment utilizes the whole 2TN polarization transfer delay for labeling of 15N chemical shift in a constant time manner, which efficiently doubles the attainable resolution in 15N dimension with respect to the conventional HNCO-TROSY experiment. In addition, the accordion principle is employed for measuring (J + D)NHs, and the multiplet components are selected with the generalized version of the TROSY scheme...	nmrlearner	Journal club	0	08-14-2010 04:19 AM
S3EPY: a Sparky extension for determination of small scalar couplings from spin-state Abstract S3EPY is a Python extension to the program Sparky written to facilitate the assessment of coupling constants from in-phase/antiphase and spin-state-selective excitation (S3E) experiments. It enables the routine use of small scalar couplings by automating the coupling evaluation procedure. S3EPY provides an integrated graphical user interface to programs which outputs graphs and the table of determined couplings. Content Type Journal Article DOI 10.1007/s10858-009-9392-1 Authors Petr NovÃ¡k, Masaryk University National Centre for Biomolecular Research, Faculty of Science...	nmrlearner	Journal club	0	08-14-2010 04:19 AM
HNCO-based measurement of one-bond amide 15N-1H couplings with optimized precision Abstract A pair of 3D HNCO-based experiments have been developed with the aim of optimizing the precision of measurement of 1JNH couplings. Both pulse sequences record 1JNH coupling evolution during the entire constant time interval that 15N magnetization is dephasing or rephasing with respect to the directly bonded 13Câ?² nucleus, with 15N13Câ?² multiple quantum coherence maintained during the 13Câ?² evolution period. The first experiment, designed for smaller proteins, produces an apparent doubling of the 1JNH coupling without any accompanying increases in line width. The second experiment...	nmrlearner	Journal club	0	08-14-2010 04:19 AM

« 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