BMRB Entry 17988
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR17988
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Title: Evolutionary diversification of Mesobuthus {alpha}-scorpion toxins affecting sodium channels. PubMed: 21969612
Deposition date: 2011-10-09 Original release date: 2011-11-17
Authors: Zhu, Shunyi; Peigneur, Steve; Gao, Bin; Lu, Xiuxiu; Cao, Chunyang; Tytgat, Jan
Citation: Zhu, Shunyi; Peigneur, Steve; Gao, Bin; Lu, Xiuxiu; Cao, Chunyang; Tytgat, Jan. "Evolutionary Diversification of Mesobuthus -Scorpion Toxins Affecting Sodium Channels." Mol. Cell Proteomics 11, .-. (2012).
Assembly members:
entity, polymer, 66 residues, 7187.264 Da.
Natural source: Common Name: scorpions Taxonomy ID: 34646 Superkingdom: Metazoa Kingdom: Mesobuthus Genus/species: eupeus not available
Experimental source: Production method: purified from the natural source
Entity Sequences (FASTA):
entity: ARDAYIAKPHNCVYECFDAF
SSYCNGVCTKNGAKSGYCQI
LGTYGNGCWCIALPDNVPIR
IPGKCH
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 422 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Mesobuthus {alpha}-scorpion toxins affecting sodium channels | 1 |
Entities:
Entity 1, Mesobuthus {alpha}-scorpion toxins affecting sodium channels 66 residues - 7187.264 Da.
| 1 | ALA | ARG | ASP | ALA | TYR | ILE | ALA | LYS | PRO | HIS | ||||
| 2 | ASN | CYS | VAL | TYR | GLU | CYS | PHE | ASP | ALA | PHE | ||||
| 3 | SER | SER | TYR | CYS | ASN | GLY | VAL | CYS | THR | LYS | ||||
| 4 | ASN | GLY | ALA | LYS | SER | GLY | TYR | CYS | GLN | ILE | ||||
| 5 | LEU | GLY | THR | TYR | GLY | ASN | GLY | CYS | TRP | CYS | ||||
| 6 | ILE | ALA | LEU | PRO | ASP | ASN | VAL | PRO | ILE | ARG | ||||
| 7 | ILE | PRO | GLY | LYS | CYS | HIS |
Samples:
sample_1: sodium phosphate 50 mM; H2O 90%; D2O 90%; entity 1 mM
sample_conditions_1: ionic strength: 0.05 M; pH: 4.0; pressure: 1 atm; temperature: 298 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:
X-PLOR NIH, Brunger - refinement
NMR spectrometers:
- Varian INOVA 600 MHz