BMRB Entry 17949
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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/BMR17949
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Title: Solution Structure of CssII PubMed: 22251893
Deposition date: 2011-09-20 Original release date: 2012-02-01
Authors: del Rio-Portilla, F.; Saucedo, A.; Corzo, G.; Delepierre, M.; Possani, L.
Citation: Saucedo, Alma; Del Rio-Portilla, Federico; Picco, Cristiana; Estrada, Georgina; Prestipino, Gianfranco; Possani, Lourival; Delepierre, Muriel; Corzo, Gerardo. "Solution structure of native and recombinant expressed toxin CssII from the venom of the scorpion Centruroides suffusus suffusus, and their effects on Nav1.5 Sodium channels." Biochim. Biophys. Acta 1824, 478-487 (2012).
Assembly members:
entity, polymer, 82 residues, 9417.726 Da.
Natural source: Common Name: Mexican scorpion Taxonomy ID: 6881 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Centruroides suffusus suffusus
Experimental source: Production method: purified from natural source Host organism: Escherichia coli
Entity Sequences (FASTA):
entity: MRGSHHHHHHGSIEGRKEGY
LVSKSTGCKYECLKLGDNDY
CLRECKQQYGKSSGGYCYAF
ACWCTHLYEQAVVWPLPNKT
CN
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 413 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | CssII | 1 |
Entities:
Entity 1, CssII 82 residues - 9417.726 Da.
| 1 | MET | ARG | GLY | SER | HIS | HIS | HIS | HIS | HIS | HIS | ||||
| 2 | GLY | SER | ILE | GLU | GLY | ARG | LYS | GLU | GLY | TYR | ||||
| 3 | LEU | VAL | SER | LYS | SER | THR | GLY | CYS | LYS | TYR | ||||
| 4 | GLU | CYS | LEU | LYS | LEU | GLY | ASP | ASN | ASP | TYR | ||||
| 5 | CYS | LEU | ARG | GLU | CYS | LYS | GLN | GLN | TYR | GLY | ||||
| 6 | LYS | SER | SER | GLY | GLY | TYR | CYS | TYR | ALA | PHE | ||||
| 7 | ALA | CYS | TRP | CYS | THR | HIS | LEU | TYR | GLU | GLN | ||||
| 8 | ALA | VAL | VAL | TRP | PRO | LEU | PRO | ASN | LYS | THR | ||||
| 9 | CYS | ASN |
Samples:
sample: CssII rec 1.3 mM; H2O 90%; D2O 10%
sample_conditions_1: ionic strength: 0 M; pH: 3.5; pressure: 1 atm; temperature: 308 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| DQFCOSY | sample | isotropic | sample_conditions_1 |
| TOCSY | sample | isotropic | sample_conditions_1 |
| NOESY | sample | isotropic | sample_conditions_1 |
Software:
CYANA, G??ntert P. - refinement
NMR spectrometers:
- Varian Inova 600 MHz