BMRB Entry 17581

Name: Solution structure of the skeletal muscle and neuronal voltage gated sodium channel antagonist mu-conotoxin CnIIIC
Published: 2012-05-09

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR17581

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Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

Solution structure of the skeletal muscle and neuronal voltage gated sodium channel antagonist mu-conotoxin CnIIIC

Deposition date:

2011-04-08

Original release date:

2012-05-09

Authors:

Favreau, P.; Benoit, E.; Hocking, Henry; Carlier, L.; D'hoedt, D.; Leipold, E.; Markgraf, R.; Schlumberger, S.; Cordova, M.; Gaertner, H.; Paolini-bertrand, M.; Hartley, O.; Tytgat, J.; Heinemann, S.; Bertrand, D.; Boelens, R.; Stocklin, R.; Molgo, J.

Citation:

Citation: Favreau, Philippe; Benoit, Evelyne; Hocking, Henry; Carlier, Ludovic; Leipold, Dieter; Markgraf, Enrico; Schlumberger, Rene; Cordova, Sebastien; Gaertner, Marco; Paolini-Bertrand, Hubert; Hartley, Marianne; Tytgat, Oliver; Heinemann, Jan; Bertrand, Stefan; Boelens, Daniel; Stocklin, Rolf; Molgo, Reto. "A novel -conopeptide, CnIIIC, exerts potent and preferential inhibition of NaV1.2/1.4 channels and blocks neuronal nicotinic acetylcholine receptors." Br. J. Pharmacol. 166, 1654-1668 (2012).
PubMed: 22229737

Assembly members:

Assembly members:
MU-CONOTOXIN_CNIIIC, polymer, 23 residues, 2378.7115 Da.

Natural source:

Natural source: Common Name: gastropods Taxonomy ID: 101297 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Conus consors

Experimental source:

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
MU-CONOTOXIN_CNIIIC: EGCCNGPKGCSSKWCRDHAR CCX

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list

Data type	Count
13C chemical shifts	11
1H chemical shifts	116

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	MU-CONOTOXIN CNIIIC	1

Entities:

Entity 1, MU-CONOTOXIN CNIIIC 23 residues - 2378.7115 Da.

1

GLU

GLY

CYS

ASN

GLY

PRO

LYS

GLY

CYS

2

SER

LYS

TRP

CYS

ARG

ASP

HIS

ALA

ARG

3

CYS

PCA

Samples:

sample_1: MU-CONOTOXIN_CNIIIC, [U-13C; U-15N], 1.3 mM

sample_conditions_1: ionic strength: 0.0 mM; pH: 4.000; pressure: 1 atm; temperature: 278.000 K

Experiments:

Name	Sample	Sample state	Sample conditions
NOESY	sample_1	solution	sample_conditions_1
DQF-COSY	sample_1	solution	sample_conditions_1
e-COSY	sample_1	solution	sample_conditions_1
TOCSY	sample_1	solution	sample_conditions_1

Software:

AutoDep v4.3, PDBe - collection

CNS vany, BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE- - refinement

CYANA vany, Guntert, Mumenthaler and Wuthrich - data analysis

SPARKY vany, Goddard - chemical shift assignment

NMR spectrometers:

Bruker Avance 750 MHz