BMRB Entry 30872
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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/BMR30872
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NMR-STAR v3 text file.
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Title: Solution structure of tarantula toxin omega-Avsp1a PubMed: 35625803
Deposition date: 2021-02-26 Original release date: 2022-02-25
Authors: Chin, Y.; Herzig, V.; King, G.
Citation: Herzig, Volker; Chen, Yong-Cyuan; Chin, Yanni K-Y; Dekan, Zoltan; Chang, Yu-Wang; Yu, Hui-Ming; Alewood, Paul; Chen, Chien-Chang; King, Glenn. "The Tarantula Toxin omega-Avsp1a Specifically Inhibits Human Ca V 3.1 and Ca V 3.3 via the Extracellular S3-S4 Loop of the Domain 1 Voltage-Sensor" Biomedicines 10, 1066-1066 (2022).
Assembly members:
entity_1, polymer, 37 residues, 4239.845 Da.
Natural source: Common Name: spiders Taxonomy ID: 2042175 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Avicularia Avicularia sp. AVIC29FPM
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
entity_1: GDCHKFLGWCRGEPDPCCEH
LSCSRKHGWCVWDWTVX
- assigned_chemical_shifts
- spectral_peak_list
Data type | Count |
13C chemical shifts | 122 |
15N chemical shifts | 39 |
1H chemical shifts | 235 |
Additional metadata:
Assembly:
Entity Assembly ID | Entity Name | Entity ID |
---|---|---|
1 | unit_1 | 1 |
Entities:
Entity 1, unit_1 37 residues - 4239.845 Da.
1 | GLY | ASP | CYS | HIS | LYS | PHE | LEU | GLY | TRP | CYS | ||||
2 | ARG | GLY | GLU | PRO | ASP | PRO | CYS | CYS | GLU | HIS | ||||
3 | LEU | SER | CYS | SER | ARG | LYS | HIS | GLY | TRP | CYS | ||||
4 | VAL | TRP | ASP | TRP | THR | VAL | NH2 |
Samples:
sample_1: Asvp1a 4.7 mg/mL; sodium phosphate 20 mM
sample_conditions_1: ionic strength: 20 mM; pH: 3.6; pressure: 1 atm; temperature: 298 K
Experiments:
Name | Sample | Sample state | Sample conditions |
---|---|---|---|
2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
Software:
CYANA v3.98.13, Guntert, Mumenthaler and Wuthrich - refinement, structure calculation
CcpNmr Analysis, CCPN - chemical shift assignment, peak picking
TopSpin, Bruker Biospin - collection
TALOS-N, Cornilescu, Delaglio and Bax - geometry optimization
NMR spectrometers:
- Bruker AVANCE 600 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts