BMRB Entry 30847
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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/BMR30847
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Title: NMR structure of Beta-KTx14.3 PubMed: 36918120
Deposition date: 2021-01-21 Original release date: 2022-02-04
Authors: Carranza-Gonzalez, L.; Titaux-Delgado, G.; del Rio-Portilla, J.
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, 48 residues, 5271.080 Da.
Natural source: Common Name: Chinese swimming scorpion Taxonomy ID: 172552 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Lychas mucronatus
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
entity_1: IAGVADLNNMSQLGCPFIEK
WCEDHCESKKQVGKCENFDC
SCVKLGGK
- assigned_chemical_shifts
- spectral_peak_list
| Data type | Count |
| 1H chemical shifts | 257 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | unit_1 | 1 |
Entities:
Entity 1, unit_1 48 residues - 5271.080 Da.
| 1 | ILE | ALA | GLY | VAL | ALA | ASP | LEU | ASN | ASN | MET | ||||
| 2 | SER | GLN | LEU | GLY | CYS | PRO | PHE | ILE | GLU | LYS | ||||
| 3 | TRP | CYS | GLU | ASP | HIS | CYS | GLU | SER | LYS | LYS | ||||
| 4 | GLN | VAL | GLY | LYS | CYS | GLU | ASN | PHE | ASP | CYS | ||||
| 5 | SER | CYS | VAL | LYS | LEU | GLY | GLY | LYS |
Samples:
sample_1: Beta-KTx14.3 0.8 ± 0.02 mg/mL
sample_conditions_1: pH: 4.0; pressure: 1 atm; temperature: 289 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
Software:
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
CARA, Keller and Wuthrich - chemical shift assignment
CYANA, Guntert, Mumenthaler and Wuthrich - structure calculation
Amber, Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman - refinement
NMR spectrometers:
- Bruker AMX 700 MHz