BMRB Entry 30846
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR30846
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Title: Structural characterization of two b-KTx scorpion toxins. One of them blocks human KCNQ1 potassium channels PubMed: 36918120
Deposition date: 2021-01-20 Original release date: 2021-12-31
Authors: del Rio-Portilla, F.; Lopez-Giraldo, A.
Citation: Titaux-Delgado, G.; Lopez-Giraldo, A.; Carrillo, E.; Cofas-Vargas, L.; Carranza-Gonzalez, L.; Lopez-Vera, E.; Garcia-Hernandez, E.; del Rio-Portilla, J.. "Beta-KTx14.3, a scorpion toxin, blocks the human potassium channel KCNQ1" Biochim. Biophys. Acta Proteins Proteom. 1871, 140906-140906 (2023).
Assembly members:
entity_1, polymer, 47 residues, 5294.156 Da.
Natural source: Common Name: Brazilian scorpion Taxonomy ID: 309814 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Tityus costatus
Experimental source: Production method: recombinant technology Host organism: Escherichia coli BL21(DE3)
Entity Sequences (FASTA):
entity_1: KIKSGWERLTSESEYACPAI
DKFCEDHCAAKKAVGKCDDF
KCNCIKL
- assigned_chemical_shifts
- spectral_peak_list
| Data type | Count |
| 1H chemical shifts | 300 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | unit_1 | 1 |
Entities:
Entity 1, unit_1 47 residues - 5294.156 Da.
| 1 | LYS | ILE | LYS | SER | GLY | TRP | GLU | ARG | LEU | THR | ||||
| 2 | SER | GLU | SER | GLU | TYR | ALA | CYS | PRO | ALA | ILE | ||||
| 3 | ASP | LYS | PHE | CYS | GLU | ASP | HIS | CYS | ALA | ALA | ||||
| 4 | LYS | LYS | ALA | VAL | GLY | LYS | CYS | ASP | ASP | PHE | ||||
| 5 | LYS | CYS | ASN | CYS | ILE | LYS | LEU |
Samples:
sample_1: TcoKIK 1.2 mM
sample_conditions_1: ionic strength: 0 Not defined; pH: 6.8; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H COSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
Software:
Amber v16, Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman - refinement
CYANA v2.1, Guntert, Mumenthaler and Wuthrich - structure calculation
CARA v1.5, Keller and Wuthrich - chemical shift assignment, peak picking
NMR spectrometers:
- Bruker AVANCE II 700 MHz