BMRB Entry 25568
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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/BMR25568
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Title: Solution structure of VSTx1 PubMed: 27677715
Deposition date: 2015-04-12 Original release date: 2016-02-29
Authors: Lau, Carus; King, Glenn; Mobli, Mehdi
Citation: Lau, Carus; King, Glenn; Mobli, Mehdi. "Molecular basis of the interaction between gating modifier spider toxins and the voltage sensor of voltage-gated ion channels" Sci. Rep. 6, 34333-34333 (2016).
Assembly members:
entity, polymer, 35 residues, 4096.852 Da.
Natural source: Common Name: Spiders Taxonomy ID: 432528 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Grammostola rosea
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
entity: SECGKFMWKCKNSNDCCKDL
VCSSRWKWCVLASPF
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 154 |
| 15N chemical shifts | 39 |
| 1H chemical shifts | 240 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity | 1 |
Entities:
Entity 1, entity 35 residues - 4096.852 Da.
| 1 | SER | GLU | CYS | GLY | LYS | PHE | MET | TRP | LYS | CYS | ||||
| 2 | LYS | ASN | SER | ASN | ASP | CYS | CYS | LYS | ASP | LEU | ||||
| 3 | VAL | CYS | SER | SER | ARG | TRP | LYS | TRP | CYS | VAL | ||||
| 4 | LEU | ALA | SER | PRO | PHE |
Samples:
sample_1: sodium acetate 20 mM; entity, [U-99% 13C; U-99% 15N], 1.7 mM; H2O 95%; D2O 5%
sample_conditions_1: ionic strength: 0 M; pH: 5; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aliphatic | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aromatic | sample_1 | isotropic | sample_conditions_1 |
Software:
CYANA, Guntert, Mumenthaler and Wuthrich - structure solution
XEASY, Bartels et al. - peak picking
TALOS, Cornilescu, Delaglio and Bax - data analysis
TOPSPIN, Bruker Biospin - collection
Rowland_NMR_Toolkit v3, Jeffrey C. Hoch * Alan S. Stern - processing
NMR spectrometers:
- Bruker Avance 900 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts