NMR paper Fluorinated Carbohydrates as Lectin Ligands: Dissecting Glycan-Cyanovirin Interactions by Using 19 F NMR Spectroscopy.

		BioNMR > Educational resources > Journal club
[NMR paper] Fluorinated Carbohydrates as Lectin Ligands: Dissecting Glycan-Cyanovirin Interactions by Using 19 F NMR Spectroscopy.

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

03-01-2013, 09:57 PM

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

Fluorinated Carbohydrates as Lectin Ligands: Dissecting Glycan-Cyanovirin Interactions by Using 19 F NMR Spectroscopy.

Fluorinated Carbohydrates as Lectin Ligands: Dissecting Glycan-Cyanovirin Interactions by Using 19 F NMR Spectroscopy.

Fluorinated Carbohydrates as Lectin Ligands: Dissecting Glycan-Cyanovirin Interactions by Using 19 F NMR Spectroscopy.

Chemistry. 2013 Feb 28;

Authors: Matei E, André S, Glinschert A, Infantino AS, Oscarson S, Gabius HJ, Gronenborn AM

Abstract
NMR spectroscopy and isothermal titration calorimetry (ITC) are powerful methods to investigate ligand-protein interactions. Here, we present a versatile and sensitive fluorine NMR spectroscopic approach that exploits the 19 F nucleus of 19 F-labeled carbohydrates as a sensor to study glycan binding to lectins. Our approach is illustrated with the 11 kDa Cyanovirin-N, a mannose binding anti-HIV lectin. Two fluoro-deoxy sugar derivatives, methyl 2-deoxy-2-fluoro-?-D-mannopyranosyl-(1->2)-?-D-mannopyranoside and methyl 2-deoxy-2-fluoro-?-D-mannopyranosyl-(1->2)-?-D-mannopyranosyl-(1->2)-?-D-mannopyranoside were utilized. Binding was studied by 19 F NMR spectroscopy of the ligand and 1 H-15 N HSQC NMR spectroscopy of the protein. The NMR data agree well with those obtained from the equivalent reciprocal and direct ITC titrations. Our study shows that the strategic design of fluorinated ligands and fluorine NMR spectroscopy for ligand screening holds great promise for easy and fast identification of glycan binding, as well as for their use in reporting structural and/or electronic perturbations that ensue upon interaction with a cognate lectin.

PMID: 23447543 [PubMed - as supplied by publisher]

More...

Did you find this post helpful?

Similar Threads
Thread	Thread Starter	Forum	Replies	Last Post
Dissecting electrostatic interactions in Bacillus circulans xylanase through NMR-monitored pH titrations Dissecting electrostatic interactions in Bacillus circulans xylanase through NMR-monitored pH titrations Abstract NMR-monitored pH titration curves of proteins provide a rich source of structural and electrostatic information. Although relatively straightforward to measure, interpreting pH-dependent chemical shift changes to obtain site-specific acid dissociation constants (pK A values) is challenging. In order to analyze the biphasic titrations exhibited by the side chain 13CÎ³ nuclei of the nucleophilic Glu78 and general acid/base Glu172 in Bacillus circulans xylanase, we have...	nmrlearner	Journal club	0	09-30-2011 08:01 PM
Dissecting electrostatic interactions in Bacillus circulans xylanase through NMR-monitored pH titrations. Dissecting electrostatic interactions in Bacillus circulans xylanase through NMR-monitored pH titrations. Dissecting electrostatic interactions in Bacillus circulans xylanase through NMR-monitored pH titrations. J Biomol NMR. 2011 Sep;51(1-2):5-19 Authors: McIntosh LP, Naito D, Baturin SJ, Okon M, Joshi MD, Nielsen JE Abstract NMR-monitored pH titration curves of proteins provide a rich source of structural and electrostatic information. Although relatively straightforward to measure, interpreting pH-dependent chemical shift changes to...	nmrlearner	Journal club	0	09-30-2011 06:00 AM
Dissecting electrostatic interactions in Bacillus circulans xylanase through NMR-monitored pH titrations. Dissecting electrostatic interactions in Bacillus circulans xylanase through NMR-monitored pH titrations. Dissecting electrostatic interactions in Bacillus circulans xylanase through NMR-monitored pH titrations. J Biomol NMR. 2011 Sep;51(1-2):5-19 Authors: McIntosh LP, Naito D, Baturin SJ, Okon M, Joshi MD, Nielsen JE Abstract NMR-monitored pH titration curves of proteins provide a rich source of structural and electrostatic information. Although relatively straightforward to measure, interpreting pH-dependent chemical shift changes...	nmrlearner	Journal club	0	09-30-2011 05:59 AM
Antimicrobial peptides and their superior fluorinated analogues: structure-activity relationships as revealed by NMR spectroscopy and MD calculations. Antimicrobial peptides and their superior fluorinated analogues: structure-activity relationships as revealed by NMR spectroscopy and MD calculations. Antimicrobial peptides and their superior fluorinated analogues: structure-activity relationships as revealed by NMR spectroscopy and MD calculations. Chembiochem. 2010 Nov 22;11(17):2424-32 Authors: Díaz MD, Palomino-Schätzlein M, Corzana F, Andreu C, Carbajo RJ, del Olmo M, Canales-Mayordomo A, Pineda-Lucena A, Asensio G, Jiménez-Barbero J The conformations of two synthetic pentapeptides with...	nmrlearner	Journal club	0	05-04-2011 04:14 PM
[NMR paper] Atomic mapping of the interactions between the antiviral agent cyanovirin-N and oligo Atomic mapping of the interactions between the antiviral agent cyanovirin-N and oligomannosides by saturation-transfer difference NMR. Related Articles Atomic mapping of the interactions between the antiviral agent cyanovirin-N and oligomannosides by saturation-transfer difference NMR. Biochemistry. 2004 Nov 9;43(44):13926-31 Authors: Sandström C, Berteau O, Gemma E, Oscarson S, Kenne L, Gronenborn AM The minimum oligosaccharide structure required for binding to the potent HIV-inactivating protein cyanovirin-N (CV-N) was determined by...	nmrlearner	Journal club	0	11-24-2010 10:03 PM
[NMR paper] Dissecting structural and electrostatic interactions of charged groups in alpha-sarci Dissecting structural and electrostatic interactions of charged groups in alpha-sarcin. An NMR study of some mutants involving the catalytic residues. Related Articles Dissecting structural and electrostatic interactions of charged groups in alpha-sarcin. An NMR study of some mutants involving the catalytic residues. Biochemistry. 2003 Nov 18;42(45):13122-33 Authors: García-Mayoral MF, Pérez-Cañadillas JM, Santoro J, Ibarra-Molero B, Sanchez-Ruiz JM, Lacadena J, Martínez del Pozo A, Gavilanes JG, Rico M, Bruix M The cytotoxic ribonuclease...	nmrlearner	Journal club	0	11-24-2010 09:16 PM
[NMR paper] Dissecting functional interactions in coagulation protein complexes by use of NMR spe Dissecting functional interactions in coagulation protein complexes by use of NMR spectroscopy. Related Articles Dissecting functional interactions in coagulation protein complexes by use of NMR spectroscopy. Curr Protein Pept Sci. 2002 Jun;3(3):275-85 Authors: Tolkatchev D, Koutychenko A, Ni F The blood coagulation cascade can be considered as a system of well-orchestrated protein activation reactions involving and leading to the formation of large macromolecular assemblies. NMR investigations performed during the last six years have focused...	nmrlearner	Journal club	0	11-24-2010 08:49 PM
[NMR paper] NMR studies of interactions of ligands with dihydrofolate reductase. NMR studies of interactions of ligands with dihydrofolate reductase. http://www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--linkinghub.elsevier.com-ihub-images-PubMedLink.gif Related Articles NMR studies of interactions of ligands with dihydrofolate reductase. Biochem Pharmacol. 1990 Jul 1;40(1):141-52 Authors: Feeney J NMR spectroscopy is a useful technique for studying interactions, conformations and dynamic processes within ligand-protein complexes. Several examples of the application of the method to studies of complexes of anti-folate...	nmrlearner	Journal club	0	08-21-2010 10:48 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