BMRB Entry 30413
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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/BMR30413
MolProbity Validation Chart
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NMR-STAR v3 text file.
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Citation: Moyer, B.; Murray, J.; Ligutti, J.; Andrews, K.; Favreau, P.; Jordan, J.; Lee, J.; Liu, D.; Long, J.; Sham, K.; Shi, L.; Stocklin, R.; Wu, B.; Yin, R.; Yu, V.; Zou, A.; Biswas, K.; Miranda, L.. "Pharmacological characterization of potent and selective NaV1.7 inhibitors engineered from Chilobrachys jingzhao tarantula venom peptide JzTx-V." PLoS ONE 13, e0196791-e0196791 (2018).
PubMed: 29723257
Assembly members:
entity_1, polymer, 30 residues, 3758.600 Da.
Natural source: Common Name: Chinese earth tiger tarantula Taxonomy ID: 278060 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Chilobrachys guangxiensis
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
entity_1: RYCQKWXWTCDSKRACCEGL
RCKLWCRKII
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 140 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 30 residues - 3758.600 Da.
| 1 | ARG | TYR | CYS | GLN | LYS | TRP | NLE | TRP | THR | CYS | |
| 2 | ASP | SER | LYS | ARG | ALA | CYS | CYS | GLU | GLY | LEU | |
| 3 | ARG | CYS | LYS | LEU | TRP | CYS | ARG | LYS | ILE | ILE |
Samples:
sample_1: JzTx-V toxin peptide, wild type 5 mg/mL; Sodium Phosphate 20 mM; Sodium Chloride 50 mM
sample_conditions_1: ionic strength: 70 mM; pH: 7; pressure: 760 Torr; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D HMBC | sample_1 | isotropic | sample_conditions_1 |
Software:
CYANA v3, Guntert, Mumenthaler and Wuthrich - structure calculation
SPARKY, Goddard - chemical shift assignment, peak picking
TOPSPIN, Bruker Biospin - processing
NMR spectrometers:
- Bruker AvanceIII 500 MHz
- Bruker AvanceIII 600 MHz