BMRB Entry 30597
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR30597
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Title: Wasabi Receptor Toxin
Deposition date: 2019-03-28 Original release date: 2019-08-23
Authors: Lin King, J.; Kelly, M.; Julius, D.
Citation: Lin King, J.; Emrick, J.; Kelly, M.; Herzig, V.; King, G.; Medzihradszky, K.; Julius, D.. "A cell-penetrating scorpion toxin targets TRPA1 to elicit mode-specific activation and pain" . ., .-..
Assembly members:
entity_1, polymer, 33 residues, 3862.348 Da.
Natural source: Common Name: Urodacus manicatus Taxonomy ID: 1330407 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Urodacus manicatus
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
entity_1: ASPQQAKYCYEQCNVNKVPF
DQCYQMCSPLERS
- assigned_chemical_shifts
- spectral_peak_list
| Data type | Count |
| 13C chemical shifts | 107 |
| 1H chemical shifts | 224 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 33 residues - 3862.348 Da.
| 1 | ALA | SER | PRO | GLN | GLN | ALA | LYS | TYR | CYS | TYR | ||||
| 2 | GLU | GLN | CYS | ASN | VAL | ASN | LYS | VAL | PRO | PHE | ||||
| 3 | ASP | GLN | CYS | TYR | GLN | MET | CYS | SER | PRO | LEU | ||||
| 4 | GLU | ARG | SER |
Samples:
sample_1: Wasabi Receptor Toxin 300 uM
sample_2: Wasabi Receptor Toxin 300 uM
sample_conditions_1: ionic strength: 0 M; pH: 4; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H COSY | 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 COSY | sample_2 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_2 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_2 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aliphatic | sample_2 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aromatic | sample_2 | isotropic | sample_conditions_1 |
Software:
ARIA, LINGE, O'DONOGHUE AND NILGES - refinement, structure calculation
CcpNmr Analysis, CCPN - chemical shift assignment, peak picking
TopSpin, Bruker Biospin - collection
PSVS, Bhattacharya and Montelione - data analysis
NMR spectrometers:
- Bruker Avance 800 MHz