Site-Specific ?- and ?-Torsion Angle Determination in a Uniformly/Extensively 13C- and 15N-Labeled Peptide

		BioNMR > Educational resources > Journal club
Site-Specific ?- and ?-Torsion Angle Determination in a Uniformly/Extensively 13C- and 15N-Labeled Peptide

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

08-18-2011, 03:52 AM

nmrlearner

Senior Member

Join Date: Jan 2005

Posts: 23,173

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

Site-Specific ?- and ?-Torsion Angle Determination in a Uniformly/Extensively 13C- and 15N-Labeled Peptide

Site-Specific ?- and ?-Torsion Angle Determination in a Uniformly/Extensively 13C- and 15N-Labeled Peptide

Publication year: 2011
Source: Journal of Magnetic Resonance, In Press, Accepted Manuscript, Available online 17 August 2011

Sungsool, Wi , Justin, Spano

A solid-state rotational-echo double resonance (REDOR) NMR method was introduced to identify the ?- and ?-torsion angle from a 1H–15N or 1H–13C? spin system of alanine-like residues in a selectively, uniformly, or extensively 15N-/13C-labeled peptide. When a C?(i) or a 15N peak is site-specifically obtainable in the NMR spectrum of a uniformly 15N/13C-labeled sample system, the ?- or ?-torsion angle specified by the conformational structure of peptide geometry involving 15N(i)–1H?(i)–15N(i+1) or 13C?(i-1)–1HN(i)–13C?(i) spin system can be identified based on 13C?- or 15N-detected 1H?–15N or 1HN–13C REDOR experiment. This method will conveniently be utilized to identify major secondary motifs, such as...

Graphical abstract

*Graphical abstract:**Highlights:*? Determination of ?- and ?-torsion angles of a uniformly 13C-/15N-labeled peptide. ? Rotational-echo double resonance (REDOR) NMR. ? Tri-spin systems, 15N(i)-1H?(i)-15N(i+1) and 13C?(i-1)-1HN(i)-13C?(i).

Source: Journal of Magnetic Resonance

Did you find this post helpful?

Similar Threads
Thread	Thread Starter	Forum	Replies	Last Post
Simultaneous single-structure and bundle representation of protein NMR structures in torsion angle space Simultaneous single-structure and bundle representation of protein NMR structures in torsion angle space Abstract A method is introduced to represent an ensemble of conformers of a protein by a single structure in torsion angle space that lies closest to the averaged Cartesian coordinates while maintaining perfect covalent geometry and on average equal steric quality and an equally good fit to the experimental (e.g. NMR) data as the individual conformers of the ensemble. The single representative â??regmean structureâ?? is obtained by simulated annealing in torsion angle space with the...	nmrlearner	Journal club	0	02-25-2012 12:16 AM
Asymmetry of 13C labeled 3-pyruvate affords improved site specific labeling of RNA for NMR spectroscopy Asymmetry of 13C labeled 3-pyruvate affords improved site specific labeling of RNA for NMR spectroscopy Abstract Selective isotopic labeling provides an unparalleled window within which to study the structure and dynamics of RNAs by high resolution NMR spectroscopy. Unlike commonly used carbon sources, the asymmetry of 13C-labeled pyruvate provides selective labeling in both the ribose and base moieties of nucleotides using Escherichia coli variants, that until now were not feasible. Here we show that an E. coli mutant strain that lacks succinate and malate dehydrogenases (DL323) and...	nmrlearner	Journal club	0	11-19-2011 07:51 AM
Asymmetry of 13C labeled 3-pyruvate affords improved site specific labeling of RNA for NMR spectroscopy Asymmetry of 13C labeled 3-pyruvate affords improved site specific labeling of RNA for NMR spectroscopy Abstract Selective isotopic labeling provides an unparalleled window within which to study the structure and dynamics of RNAs by high resolution NMR spectroscopy. Unlike commonly used carbon sources, the asymmetry of 13C-labeled pyruvate provides selective labeling in both the ribose and base moieties of nucleotides using E. coli variants, that until now were not feasible. Here we show that an E. coli mutant strain that lacks succinate and malate dehydrogenases (DL323) and grown on...	nmrlearner	Journal club	0	11-14-2011 08:45 AM
[NMR paper] Site-specific 13C chemical shift anisotropy measurements in a uniformly 15N,13C-labeled microcrystalline protein by 3D magic-angle spinning NMR spectroscopy. Site-specific 13C chemical shift anisotropy measurements in a uniformly 15N,13C-labeled microcrystalline protein by 3D magic-angle spinning NMR spectroscopy. Related Articles Site-specific 13C chemical shift anisotropy measurements in a uniformly 15N,13C-labeled microcrystalline protein by 3D magic-angle spinning NMR spectroscopy. J Am Chem Soc. 2005 Aug 31;127(34):11946-7 Authors: Wylie BJ, Franks WT, Graesser DT, Rienstra CM In this Communication, we introduce a 3D magic-angle spinning recoupling experiment that correlates chemical shift...	nmrlearner	Journal club	0	12-01-2010 06:56 PM
[NMR paper] Torsion angle dynamics for NMR structure calculation with the new program DYANA. Torsion angle dynamics for NMR structure calculation with the new program DYANA. http://www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--linkinghub.elsevier.com-ihub-images-PubMedLink.gif Related Articles Torsion angle dynamics for NMR structure calculation with the new program DYANA. J Mol Biol. 1997 Oct 17;273(1):283-98 Authors: GÃ¼ntert P, Mumenthaler C, WÃ¼thrich K The new program DYANA (DYnamics Algorithm for Nmr Applications) for efficient calculation of three-dimensional protein and nucleic acid structures from distance constraints and...	nmrlearner	Journal club	0	08-22-2010 05:08 PM
[NMR paper] Torsion-angle molecular dynamics as a new efficient tool for NMR structure calculatio Torsion-angle molecular dynamics as a new efficient tool for NMR structure calculation. http://www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--linkinghub.elsevier.com-ihub-images-PubMedLink.gif Related Articles Torsion-angle molecular dynamics as a new efficient tool for NMR structure calculation. J Magn Reson. 1997 Jan;124(1):154-64 Authors: Stein EG, Rice LM, BrÃ¼nger AT Molecular dynamics in torsion-angle space was applied to nuclear magnetic resonance structure calculation using nuclear Overhauser effect-derived distances and...	nmrlearner	Journal club	0	08-22-2010 03:31 PM
[NMR paper] Torsion-angle molecular dynamics as a new efficient tool for NMR structure calculatio Torsion-angle molecular dynamics as a new efficient tool for NMR structure calculation. http://www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--linkinghub.elsevier.com-ihub-images-PubMedLink.gif Related Articles Torsion-angle molecular dynamics as a new efficient tool for NMR structure calculation. J Magn Reson. 1997 Jan;124(1):154-64 Authors: Stein EG, Rice LM, BrÃ¼nger AT Molecular dynamics in torsion-angle space was applied to nuclear magnetic resonance structure calculation using nuclear Overhauser effect-derived distances and...	nmrlearner	Journal club	0	08-22-2010 03:03 PM
[NMR paper] Phosphorylation-induced torsion-angle strain in the active center of HPr, detected by Phosphorylation-induced torsion-angle strain in the active center of HPr, detected by NMR and restrained molecular dynamics refinement. http://www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--www3.interscience.wiley.com-aboutus-images-wiley_interscience_pubmed_logo_FREE_120x27.gif http://www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--www.pubmedcentral.nih.gov-corehtml-pmc-pmcgifs-pubmed-pmc.gif Related Articles Phosphorylation-induced torsion-angle strain in the active center of HPr, detected by NMR and restrained molecular dynamics refinement. Protein Sci. 1996...	nmrlearner	Journal club	0	08-22-2010 02:27 PM

« Previous Thread | Next Thread »

Thread Tools	Search this Thread
Show Printable Version Email this Page	Search this Thread: Advanced Search
Display Modes	Rate This Thread
Linear Mode Switch to Hybrid Mode Switch to Threaded Mode	Rate This 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