BMRB Entry 30695
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR30695
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Title: Solution structure of delta-theraphotoxin-Hm1b from Heteroscodra maculata PubMed: 32335140
Deposition date: 2019-12-05 Original release date: 2020-05-08
Authors: Chin, Y.; Chow, C.; King, G.
Citation: Chow, C.; Chin, Y.; Ma, L.; Undheim, E.; Herzig, V.; King, G.. "A selective NaV1.1 activator with potential for treatment of Dravet syndrome epilepsy" Biochem. Pharmacol. ., 113991-113991 (2020).
Assembly members:
entity_1, polymer, 35 residues, 3993.551 Da.
Natural source: Common Name: Togo starburst tarantula Taxonomy ID: 268413 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Heteroscodra maculata
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
entity_1: SECRYLFGGCKTTADCCKHL
GCRTDLYYCAWDGTF
- assigned_chemical_shifts
- spectral_peak_list
| Data type | Count |
| 13C chemical shifts | 106 |
| 15N chemical shifts | 37 |
| 1H chemical shifts | 219 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 35 residues - 3993.551 Da.
| 1 | SER | GLU | CYS | ARG | TYR | LEU | PHE | GLY | GLY | CYS | ||||
| 2 | LYS | THR | THR | ALA | ASP | CYS | CYS | LYS | HIS | LEU | ||||
| 3 | GLY | CYS | ARG | THR | ASP | LEU | TYR | TYR | CYS | ALA | ||||
| 4 | TRP | ASP | GLY | THR | PHE |
Samples:
sample_1: Hm1b, [U-99% 15N], 325 uM; sodium phosphate 20 mM
sample_conditions_1: ionic strength: 20 mM; pH: 6; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
Software:
CYANA, Guntert, Mumenthaler and Wuthrich - chemical shift assignment, refinement, structure calculation
CcpNmr Analysis, CCPN - chemical shift assignment, peak picking
TopSpin, Bruker Biospin - processing
NMR spectrometers:
- Bruker AVANCE II 600 MHz
- Bruker AVANCE III 900 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts