NMR paper NMR solution structure of a two-disulfide derivative of charybdotoxin: structural evi

		BioNMR > Educational resources > Journal club
[NMR paper] NMR solution structure of a two-disulfide derivative of charybdotoxin: structural evi

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

08-22-2010, 03:03 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

NMR solution structure of a two-disulfide derivative of charybdotoxin: structural evi

NMR solution structure of a two-disulfide derivative of charybdotoxin: structural evidence for conservation of scorpion toxin alpha/beta motif and its hydrophobic side chain packing.

Related Articles NMR solution structure of a two-disulfide derivative of charybdotoxin: structural evidence for conservation of scorpion toxin alpha/beta motif and its hydrophobic side chain packing.

Biochemistry. 1997 Apr 1;36(13):3760-6

Authors: Song J, Gilquin B, Jamin N, Drakopoulou E, Guenneugues M, Dauplais M, Vita C, Ménez A

The alpha/beta scorpion fold consisting of a short alpha-helix and beta-sheet is a structural motif common to scorpion toxins, insect defensins, and plant gamma-thionins that invariably contains three disulfides. CHABII is a two-disulfide derivative of the scorpion toxin charybdotoxin (ChTX), chemically synthesized by inserting two L-alpha-aminobutyric acids in place of the two half-cystine residues involved in the disulfide 13-33. This disulfide is one of the two disulfides which connect the alpha-helix to the beta-sheet. The solution structure of CHABII was determined at pH 6.3 and 5 degrees C using 2D NMR and simulated annealing from 513 distance and 46 dihedral angle constraints. The NMR structure of CHABII is well-defined as judged from the low value of the averaged backbone rms deviation between the 30 lowest energy structures and the energy-minimized mean structure ((rmsd) = 0.65 A for the entire sequence and 0.48 A for the segment 3-36). Analysis and comparison of the solution structures of CHABII and ChTX lead to the following conclusions: (i) the fold of CHABII is similar to that of ChTX as indicated by the low value of the averaged backbone atomic rms deviation between the 10 lowest energy solution structures of the two proteins (1.44 A); (ii) the packing of the hydrophobic core is well-preserved, underlying the critical structural role of the hydrophobic interactions even for such a small and cysteine-rich protein as ChTX.

PMID: 9092804 [PubMed - indexed for MEDLINE]

Source: PubMed

Did you find this post helpful?

Similar Threads
Thread	Thread Starter	Forum	Replies	Last Post
Discovery of a potent and efficacious peptide derivative for ?/? opioid agonist/neurokinin 1 antagonist activity with a 2',6'-dimethyl-L-tyrosine: in vitro, in vivo, and NMR-based structural studies. Discovery of a potent and efficacious peptide derivative for ?/? opioid agonist/neurokinin 1 antagonist activity with a 2',6'-dimethyl-L-tyrosine: in vitro, in vivo, and NMR-based structural studies. Discovery of a potent and efficacious peptide derivative for ?/? opioid agonist/neurokinin 1 antagonist activity with a 2',6'-dimethyl-L-tyrosine: in vitro, in vivo, and NMR-based structural studies. J Med Chem. 2011 Apr 14;54(7):2029-38 Authors: Yamamoto T, Nair P, Largent-Milnes TM, Jacobsen NE, Davis P, Ma SW, Yamamura HI, Vanderah TW, Porreca F, Lai J, Hruby...	nmrlearner	Journal club	0	06-07-2011 11:05 AM
NMR solution structure of human VRK1 reveals the C-terminal tail essential for structural stability and autocatalytic activity. NMR solution structure of human VRK1 reveals the C-terminal tail essential for structural stability and autocatalytic activity. NMR solution structure of human VRK1 reveals the C-terminal tail essential for structural stability and autocatalytic activity. J Biol Chem. 2011 May 3; Authors: Shin J, Chakraborty G, Bharatham N, Kang C, Tochio N, Koshiba S, Kigawa T, Kim W, Kim KT, Yoon HS Vaccinia-related kinase 1 (VRK1) is one of the mitotic kinases which play important roles in cell cycle, nuclear condensation and transcription regulation. Kinase...	nmrlearner	Journal club	0	05-06-2011 12:02 PM
[NMR paper] Structure and dynamic properties of the single disulfide-deficient alpha-amylase inhi Structure and dynamic properties of the single disulfide-deficient alpha-amylase inhibitor tendamistat: an NMR study. Related Articles Structure and dynamic properties of the single disulfide-deficient alpha-amylase inhibitor tendamistat: an NMR study. Proteins. 1998 Nov 1;33(2):285-94 Authors: Balbach J, Seip S, Kessler H, Scharf M, Kashani-Poor N, Engels JW Covalent linkages such as disulfide bonds are important for the stabilization of proteins. In the present NMR study we compare the structure and the dynamics of the single...	nmrlearner	Journal club	0	11-17-2010 11:15 PM
[NMR paper] NMR determination of the global structure of the 113Cd derivative of desulforedoxin: NMR determination of the global structure of the 113Cd derivative of desulforedoxin: investigation of the hydrogen bonding pattern at the metal center. Related Articles NMR determination of the global structure of the 113Cd derivative of desulforedoxin: investigation of the hydrogen bonding pattern at the metal center. Protein Sci. 1998 Apr;7(4):928-37 Authors: Goodfellow BJ, Rusnak F, Moura I, Domke T, Moura JJ Desulforedoxin (Dx) is a simple homodimeric protein isolated from Desulfovibrio gigas (Dg) containing a distorted rubredoxin-like...	nmrlearner	Journal club	0	11-17-2010 11:06 PM
[NMR paper] NMR solution structure of a two-disulfide derivative of charybdotoxin: structural evi NMR solution structure of a two-disulfide derivative of charybdotoxin: structural evidence for conservation of scorpion toxin alpha/beta motif and its hydrophobic side chain packing. http://www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--pubs.acs.org-images-acspubs.jpg Related Articles NMR solution structure of a two-disulfide derivative of charybdotoxin: structural evidence for conservation of scorpion toxin alpha/beta motif and its hydrophobic side chain packing. Biochemistry. 1997 Apr 1;36(13):3760-6 Authors: Song J, Gilquin B, Jamin N, Drakopoulou E,...	nmrlearner	Journal club	0	08-22-2010 03:31 PM
[NMR paper] 1H- and natural abundance 15N-NMR studies of a derivative of a rabies glycoprotein fr 1H- and natural abundance 15N-NMR studies of a derivative of a rabies glycoprotein fragment. Related Articles 1H- and natural abundance 15N-NMR studies of a derivative of a rabies glycoprotein fragment. Biopolymers. 1991 May;31(6):713-23 Authors: Molinari H, Consonni R, Pegna M, Zetta L, Neri P, Niccolai N, Bonci A, Lozzi L, Rustici M, Scarselli M Using a combination of one- and two-dimensional methods, 1H- and 15N-nmr spectroscopy has been employed to perform the complete assignment and the structural determination of the immunogenic...	nmrlearner	Journal club	0	08-21-2010 11:16 PM
[NMR paper] Solution structural characteristics of cyanometmyoglobin: resonance assignment of hem Solution structural characteristics of cyanometmyoglobin: resonance assignment of heme cavity residues by two-dimensional NMR. Related Articles Solution structural characteristics of cyanometmyoglobin: resonance assignment of heme cavity residues by two-dimensional NMR. Biochemistry. 1990 Feb 13;29(6):1545-56 Authors: Emerson SD, La Mar G Steady-state nuclear Overhauser effects (NOE), two-dimensional (2D) nuclear Overhauser effect spectroscopy (NOESY), and 2D spin correlation spectroscopy (COSY) have been applied to the fully paramagnetic...	nmrlearner	Journal club	0	08-21-2010 10:48 PM
[NMR paper] NMR structure of Escherichia coli glutaredoxin 3-glutathione mixed disulfide complex: NMR structure of Escherichia coli glutaredoxin 3-glutathione mixed disulfide complex: implications for the enzymatic mechanism. http://www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--linkinghub.elsevier.com-ihub-images-PubMedLink.gif Related Articles NMR structure of Escherichia coli glutaredoxin 3-glutathione mixed disulfide complex: implications for the enzymatic mechanism. J Mol Biol. 1999 Feb 19;286(2):541-52 Authors: Nordstrand K, slund F, Holmgren A, Otting G, Berndt KD Glutaredoxins (Grxs) catalyze reversible oxidation/reduction of...	nmrlearner	Journal club	0	08-21-2010 04:03 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