BMRB Entry 19666
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR19666
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Title: Structure of insect-specific sodium channel toxin mu-Dc1a PubMed: 25014760
Deposition date: 2013-12-08 Original release date: 2014-07-14
Authors: Bende, Niraj; Mobli, Mehdi; King, Glenn
Citation: Bende, Niraj; Dziemborowicz, Slawomir; Mobli, Mehdi; Herzig, Volker; Gilchrist, John; Nicholson, Graham; King, Glenn; Bosmans, Frank. "A distinct voltage-sensor locus determines insect-family selectivity of a unique sodium channel modulator found in desert bush spider venom" Nat. Commun. 5, 1-10 (2014).
Assembly members:
Dc1a, polymer, 57 residues, 6502.466 Da.
Natural source: Common Name: desert bush spider Taxonomy ID: 38407 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Diguetia canities
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
Dc1a: SAKDGDVEGPAGCKKYDVEC
DSGECCQKQYLWYKWRPLDC
RCLKSGFFSSKCVCRDV
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 245 |
| 15N chemical shifts | 60 |
| 1H chemical shifts | 374 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Dc1a | 1 |
Entities:
Entity 1, Dc1a 57 residues - 6502.466 Da.
| 1 | SER | ALA | LYS | ASP | GLY | ASP | VAL | GLU | GLY | PRO | ||||
| 2 | ALA | GLY | CYS | LYS | LYS | TYR | ASP | VAL | GLU | CYS | ||||
| 3 | ASP | SER | GLY | GLU | CYS | CYS | GLN | LYS | GLN | TYR | ||||
| 4 | LEU | TRP | TYR | LYS | TRP | ARG | PRO | LEU | ASP | CYS | ||||
| 5 | ARG | CYS | LEU | LYS | SER | GLY | PHE | PHE | SER | SER | ||||
| 6 | LYS | CYS | VAL | CYS | ARG | ASP | VAL |
Samples:
sample_1: Dc1a, [U-99% 13C; U-99% 15N], 350 uM; sodium acetate 20 mM; H2O 95%; D2O 5%
sample_conditions_1: ionic strength: 0.02 M; pH: 5.0; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D HBHA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY aliphatic | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY aromatic | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 4D HCC(CO)NH | sample_1 | isotropic | sample_conditions_1 |
Software:
CYANA v3, Guntert, Mumenthaler and Wuthrich - structure solution
TALOS v+, Cornilescu, Delaglio and Bax - geometry optimization
XEASY, Bartels et al. - chemical shift assignment
TOPSPIN v3, Bruker Biospin - collection
Rowland_NMR_Toolkit v3, Jeffrey C. Hoch, Alan S. Stern - processing
GENPROC v2, Mehdi Mobli - 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