BMRB Entry 18964

Name: Characterization of a Novel Alpha4/6-Conotoxin TxIC from Conus textile that Potently Blocks alpha3beta4 Nicotinic Acetylcholine Receptors
Published: 2013-12-20

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PDB ID: 2m3i
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR18964
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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:

Characterization of a Novel Alpha4/6-Conotoxin TxIC from Conus textile that Potently Blocks alpha3beta4 Nicotinic Acetylcholine Receptors

Deposition date:

2013-01-20

Original release date:

2013-12-20

Authors:

Luo, Sulan; Zhangsun, Dongting; Zhu, Xiaopeng; Wu, Yong; Hu, Yuanyan; Christensen, Sean; Akcan, Muharrem; Craik, David; McIntosh, J. Michael

Citation:

Citation: Luo, Sulan; Zhangsun, Dongting; Zhu, Xiaopeng; Wu, Yong; Hu, Yuanyan; Christensen, Sean; Harvey, Peta; Akcan, Muharrem; Craik, David; McIntosh, J. Michael. "Characterization of a Novel -Conotoxin TxID from Conus textile That Potently Blocks Rat 34 Nicotinic Acetylcholine Receptors." J. Med. Chem. 56, 9655-9663 (2013).
PubMed: 24200193

Assembly members:

Assembly members:
TxIC, polymer, 16 residues, 1493.806 Da.

Natural source:

Natural source: Common Name: Cloth-of-gold Cone Taxonomy ID: 6494 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Conus Textile

Experimental source:

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
TxIC: GCCSHPVCSAMSPICX

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
1H chemical shifts	77

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Novel Alpha4/6-Conotoxin TxIC	1

Entities:

Entity 1, Novel Alpha4/6-Conotoxin TxIC 16 residues - 1493.806 Da.

1

GLY

CYS

SER

HIS

PRO

VAL

CYS

SER

ALA

2

MET

SER

PRO

ILE

CYS

NH2

Samples:

sample_1: Conotoxin ~3 mg; H2O 70%; Trifluoroethanol 30%

sample_conditions_1: ionic strength: 0 M; pH: 3.5; pressure: 1 atm; temperature: 308 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-1H TOCSY	sample_1	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1
2D DQF-COSY	sample_1	isotropic	sample_conditions_1

Software:

CYANA, Guntert, Mumenthaler and Wuthrich - structure solution

CNSSOLVE, Brunger, Adams, Clore, Gros, Nilges and Read - refinement

MolProbity, Richardson - Structure validation

PROMOTIF, Hutchinson, E. G., and Thornton, J. M - Structure validation

NMR spectrometers:

Bruker Avance 600 MHz

PDB	2M3I
EMBL	CCN27219
GB	AFD18484