NMR paper Diastereotopic fluorine substituents as 19F NMR probes of screw-sense preference in helical foldamers.

		BioNMR > Educational resources > Journal club
[NMR paper] Diastereotopic fluorine substituents as 19F NMR probes of screw-sense preference in helical foldamers.

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

11-07-2013, 11:06 AM

nmrlearner

Senior Member

Join Date: Jan 2005

Posts: 23,185

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

Diastereotopic fluorine substituents as 19F NMR probes of screw-sense preference in helical foldamers.

Related Articles Diastereotopic fluorine substituents as 19F NMR probes of screw-sense preference in helical foldamers.

Org Biomol Chem. 2013 May 21;11(19):3168-76

Authors: Pike SJ, De Poli M, Zawodny W, Raftery J, Webb SJ, Clayden J

Abstract
Ligating simple amino alcohol or amino ester monomers containing enantiotopic fluorine substituents to the C-terminus of a helical peptide places the fluorine atoms in diastereotopic environments, and gives two distinct and easily identifiable signals in the (19)F NMR spectrum. In the case of a dynamically inverting helix built from achiral monomers, the chemical shift separation between the (19)F signals provides a simple means of analysing the ratio of screw-sense conformers in the oligomer, in cases where an asymmetric bias leads to a screw-sense preference.

PMID: 23558640 [PubMed - indexed for MEDLINE]

More...

Did you find this post helpful?

Similar Threads
Thread	Thread Starter	Forum	Replies	Last Post
[NMR paper] NMR based solvent exchange experiments to understand the conformational preference of intrinsically disordered proteins using FG-nucleoporin peptide as a model. NMR based solvent exchange experiments to understand the conformational preference of intrinsically disordered proteins using FG-nucleoporin peptide as a model. http://www.bionmr.com//www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--media.wiley.com-assets-2250-98-WileyOnlineLibrary-Button_120x27px_FullText.gif Related Articles NMR based solvent exchange experiments to understand the conformational preference of intrinsically disordered proteins using FG-nucleoporin peptide as a model. Biopolymers. 2013 Sep 4; Authors: Heisel KA, Krishnan VV ...	nmrlearner	Journal club	0	09-17-2013 11:36 PM
[NMR images] Selective Fluorine NMR Spectroscopy :: University of Southampton http://www.southampton.ac.uk/scas/images/nmr_images/spectra/19f_cosy.jpg www.southampton.ac.uk 19/07/2013 7:44:31 AM GMT Selective Fluorine NMR Spectroscopy :: University of Southampton More...	nmrlearner	NMR pictures	0	07-19-2013 07:43 AM
Symmetry Break of Special Pair: Photochemically Induced Dynamic Nuclear Polarization NMR Confirms Control by Nonaromatic Substituents Symmetry Break of Special Pair: Photochemically Induced Dynamic Nuclear Polarization NMR Confirms Control by Nonaromatic Substituents Karthick Babu Sai Sankar Gupta, A. Alia, Huub J.M. de Groot and Jo?rg Matysik http://pubs.acs.org/appl/literatum/publisher/achs/journals/content/jacsat/0/jacsat.ahead-of-print/ja402238w/aop/images/medium/ja-2013-02238w_0006.gif Journal of the American Chemical Society DOI: 10.1021/ja402238w http://feeds.feedburner.com/~ff/acs/jacsat?d=yIl2AUoC8zA http://feeds.feedburner.com/~r/acs/jacsat/~4/SoHEJYzuguk	nmrlearner	Journal club	0	07-03-2013 01:46 PM
[NMR paper] Symmetry break of special pair: Photochemically induced dynamic nuclear polarization NMR confirms control by nonaromatic substituents. Symmetry break of special pair: Photochemically induced dynamic nuclear polarization NMR confirms control by nonaromatic substituents. Symmetry break of special pair: Photochemically induced dynamic nuclear polarization NMR confirms control by nonaromatic substituents. J Am Chem Soc. 2013 Jun 6; Authors: Sai Sankar Gupta KB, Alia A, de Groot HJ, Matysik J Abstract Despite the high structural symmetry of cofactor arrangement and protein environment, light-induced electron transfer in photosynthetic reaction centers (RCs) of the purple...	nmrlearner	Journal club	0	06-07-2013 10:04 AM
[Question from NMRWiki Q&A forum] incorporating fluorine into proteins incorporating fluorine into proteins Hi I was considering the possibility of trying some fluorine NMR and was wanting to know if anyone knew any simple ways of incorporating Fluorine probes into my protein relatively cheaply or using E.coli. I would be particularly interested in using fluro-tryptophan for dual use as NMR and florescence probes. Also does anyone have a feel for the size limitations of 19F probes literature always quotes around 100KDa but is it possible to go considerably higher, say 500? any advice would be great Tom	nmrlearner	News from other NMR forums	0	02-02-2012 09:43 PM
Measuring Screw-Sense Preference in a Helical Oligomer by Comparison of 13C NMR Signal Separation at Slow and Fast Exchange Measuring Screw-Sense Preference in a Helical Oligomer by Comparison of 13C NMR Signal Separation at Slow and Fast Exchange Jordi Sola?, Gareth A. Morris and Jonathan Clayden http://pubs.acs.org/appl/literatum/publisher/achs/journals/content/jacsat/0/jacsat.ahead-of-print/ja1097034/aop/images/medium/ja-2010-097034_0001.gif Journal of the American Chemical Society DOI: 10.1021/ja1097034 http://feeds.feedburner.com/~ff/acs/jacsat?d=yIl2AUoC8zA http://feeds.feedburner.com/~r/acs/jacsat/~4/NJjFWlcOo9Q	nmrlearner	Journal club	0	02-26-2011 01:07 PM
Effects of substituents on the NMR features of basic bicyclic ring systems of fluoroquinolone antibiotics and the relationships between NMR chemical shifts, molecular descriptors and drug-likeness parameters. Effects of substituents on the NMR features of basic bicyclic ring systems of fluoroquinolone antibiotics and the relationships between NMR chemical shifts, molecular descriptors and drug-likeness parameters. Related Articles Effects of substituents on the NMR features of basic bicyclic ring systems of fluoroquinolone antibiotics and the relationships between NMR chemical shifts, molecular descriptors and drug-likeness parameters. Acta Pharm. 2010 Sep 1;60(3):237-254 Authors: Taka? MJ In the present study, the NMR spectroscopic features of...	nmrlearner	Journal club	0	12-08-2010 06:21 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