BMRB Entry 30377
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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/BMR30377
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Title: Solution NMR structures for CcoTx-II PubMed: 29703751
Deposition date: 2017-12-07 Original release date: 2018-04-27
Authors: Agwa, A.; Schroeder, C.
Citation: Agwa, Akello; Peigneur, Steve; Chow, ChunYuen; Lawrence, Nicole; Craik, David; Tytgat, Jan; King, Glenn; Henriques, Sonia; Schroeder, Christina. "Gating modifier toxins isolated from spider venom: Modulation of voltage-gated sodium channels and the role of lipid membranes" J. Biol. Chem. 293, 9041-9052 (2018).
Assembly members:
entity_1, polymer, 34 residues, 4105.773 Da.
Natural source: Common Name: Straighthorned baboon tarantula Taxonomy ID: 316287 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Ceratogyrus marshalli
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
entity_1: DCLGWFKSCDPKNDKCCKNY
TCSRRDRWCKYYLX
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 87 |
| 15N chemical shifts | 33 |
| 1H chemical shifts | 228 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 34 residues - 4105.773 Da.
| 1 | ASP | CYS | LEU | GLY | TRP | PHE | LYS | SER | CYS | ASP | ||||
| 2 | PRO | LYS | ASN | ASP | LYS | CYS | CYS | LYS | ASN | TYR | ||||
| 3 | THR | CYS | SER | ARG | ARG | ASP | ARG | TRP | CYS | LYS | ||||
| 4 | TYR | TYR | LEU | NH2 |
Samples:
sample_1: CcoTx-II 0.1 mg/mL
sample_2: CcoTx-II 0.1 mg/mL
sample_conditions_1: pH: 6; pressure: 1 Pa; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_2 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_2 | isotropic | sample_conditions_1 |
Software:
TOPSPIN, Bruker Biospin - processing
CcpNMR, CCPN - chemical shift assignment
CYANA, Guntert, Mumenthaler and Wuthrich - structure calculation
CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinement
NMR spectrometers:
- Bruker Avance 600 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts