BMRB Entry 17876
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR17876
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Title: STRUCTURAL AND FUNCTIONAL ANALYSIS OF A NOVEL POTASSIUM TOXI ARGENTINEAN SCORPION TITYUS TRIVITTATUS REVEALS A NEW KAPPA SUB-FAMILY PubMed: 22238341
Deposition date: 2011-08-19 Original release date: 2012-01-12
Authors: Saucedo-Yanez, A.; Del Rio-Portilla, F.; Hernandez-Lopez, R.
Citation: Saucedo, Alma Leticia; Flores-Solis, David; Rodriguez de la Vega, Ricardo; Ramirez-Cordero, Belen; Hernandez-Lopez, Rogelio; Cano-Sanchez, Patricia; Noriega-Navarro, Roxana; Garcia-Valdes, Jesus; Coronas-Valderrama, Fredy; de Roodt, Adolfo; Brieba, Luis; Possani, Lourival Domingos; Del Rio-Portilla, Federico. "New tricks of an old pattern: structural versatility of scorpion toxins with common cysteine spacing." J. Biol. Chem. ., .-. (2012).
Assembly members:
KAPPA-KTX3.1_SCORPION_TOXIN, polymer, 30 residues, 3334.915 Da.
Natural source: Common Name: scorpions Taxonomy ID: 369776 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Tityus trivittatus
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
KAPPA-KTX3.1_SCORPION_TOXIN: GSGCMPEYCAGQCRGKVSQD
YCLKNCRCIR
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 185 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | KAPPA-KTX3.1 SCORPION TOXIN | 1 |
Entities:
Entity 1, KAPPA-KTX3.1 SCORPION TOXIN 30 residues - 3334.915 Da.
| 1 | GLY | SER | GLY | CYS | MET | PRO | GLU | TYR | CYS | ALA | |
| 2 | GLY | GLN | CYS | ARG | GLY | LYS | VAL | SER | GLN | ASP | |
| 3 | TYR | CYS | LEU | LYS | ASN | CYS | ARG | CYS | ILE | ARG |
Samples:
sample: KAPPA-KTX3.1 SCORPION TOXIN 2.3 mM; H2O 95%; D2O 5%
sample_conditions_1: pH: 3.5; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| NOESY | sample | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample | isotropic | sample_conditions_1 |
| 2D DQF-C | sample | isotropic | sample_conditions_1 |
Software:
CYANA v2.1, D.A.CASE, ET AL. - refinement
NMRPipe, Delaglio, Zhengrong and Bax - structure solution
XEASY, Bartels et al. - structure solution
CARA v1.5, Keller and Wuthrich - structure solution
Molmol, Koradi, Billeter and Wuthrich - structure solution
AMBER, Guntert, Mumenthaler and Wuthrich - structure solution
NMR spectrometers:
- VARIAN INOVA 500 MHz
- Varian UNITY 500 MHz