BMRB Entry 30412
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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/BMR30412
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Title: Backbone cyclised conotoxin Vc1.1 mutant - D11A, E14A PubMed: 29746088
Deposition date: 2018-02-21 Original release date: 2018-05-17
Authors: Clark, R.
Citation: Sadeghi, M.; Carstens, B.; Callaghan, B.; Daniel, J.; Tae, H.; O'Donnell, T.; Castro, J.; Brierley, S.; Adams, D.; Craik, D.; Clark, R.. "Structure-activity studies reveal the molecular basis for GABAB-receptor mediated inhibition of high voltage-activated calcium channels by alpha-conotoxin Vc1.1" ACS Chem. Biol. 13, 1577-1587 (2018).
Assembly members:
entity_1, polymer, 22 residues, 2082.326 Da.
Natural source: Common Name: Queen Victoria cone Taxonomy ID: 319920 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Conus victoriae
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
entity_1: GCCSDPRCNYAHPAICGGAA
GG
- assigned_chemical_shifts
- spectral_peak_list
| Data type | Count |
| 13C chemical shifts | 42 |
| 15N chemical shifts | 20 |
| 1H chemical shifts | 112 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 22 residues - 2082.326 Da.
| 1 | GLY | CYS | CYS | SER | ASP | PRO | ARG | CYS | ASN | TYR | ||||
| 2 | ALA | HIS | PRO | ALA | ILE | CYS | GLY | GLY | ALA | ALA | ||||
| 3 | GLY | GLY |
Samples:
sample_1: cVc1.1[D11A,E14A] 2 mg/mL
sample_conditions_1: ionic strength: 0 mM; pH: 3.5; pressure: 1 atm; temperature: 280 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_1 | isotropic | sample_conditions_1 |
Software:
CYANA, Guntert, Mumenthaler and Wuthrich - structure calculation
Analysis, CCPN - chemical shift assignment
TOPSPIN, Bruker Biospin - collection
NMR spectrometers:
- Bruker AvanceIII 600 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts