BMRB Entry 30961
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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/BMR30961
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NMR-STAR v3 text file.
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Title: Solution structure of spider toxin Ssp1a PubMed: 35002728
Deposition date: 2021-10-20 Original release date: 2022-01-28
Authors: Wilson, D.; Daly, N.; Dongol, Y.; Lewis, R.
Citation: Dongol, Y.; Choi, P.; Wilson, D.; Daly, N.; Cardoso, F.; Lewis, R.. "Voltage-Gated Sodium Channel Modulation by a New Spider Toxin Ssp1a Isolated From an Australian Theraphosid" Front. Pharmacol. 12, 795455-795455 (2021).
Assembly members:
entity_1, polymer, 34 residues, 4037.543 Da.
Natural source: Common Name: spiders Taxonomy ID: 1395660 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Selenotypus not available
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
entity_1: GDCLGWFSGCDPNNNKCCEG
YVCHWKYPWCRYDL
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 25 |
| 15N chemical shifts | 33 |
| 1H chemical shifts | 220 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | unit_1 | 1 |
Entities:
Entity 1, unit_1 34 residues - 4037.543 Da.
| 1 | GLY | ASP | CYS | LEU | GLY | TRP | PHE | SER | GLY | CYS | ||||
| 2 | ASP | PRO | ASN | ASN | ASN | LYS | CYS | CYS | GLU | GLY | ||||
| 3 | TYR | VAL | CYS | HIS | TRP | LYS | TYR | PRO | TRP | CYS | ||||
| 4 | ARG | TYR | ASP | LEU |
Samples:
sample_1: Ssp1a 0.5 mM
sample_conditions_1: ionic strength: 0 mM; pH: 4; pressure: 1 atm; temperature: 290 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D COSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 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 |
Software:
CcpNmr Analysis, CCPN - chemical shift assignment, peak picking
TopSpin, Bruker Biospin - collection
CYANA, Guntert, Mumenthaler and Wuthrich - refinement, structure calculation
NMR spectrometers:
- Bruker AVANCE III HD 600 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts