BMRB Entry 18964
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PDB ID:
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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Title: Characterization of a Novel Alpha4/6-Conotoxin TxIC from Conus textile that Potently Blocks alpha3beta4 Nicotinic Acetylcholine Receptors PubMed: 24200193
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: 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).
Assembly members:
TxIC, polymer, 16 residues, 1493.806 Da.
Natural source: Common Name: Cloth-of-gold Cone Taxonomy ID: 6494 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Conus Textile
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
TxIC: GCCSHPVCSAMSPICX
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 77 |
Additional metadata:
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 | 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