BMRB Entry 36177
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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/BMR36177
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Title: Structure of omega conotoxin Bu8
Deposition date: 2018-04-11 Original release date: 2019-04-15
Authors: Liu, X.; Jiang, L.
Citation: Liu, X.; Jiang, L.. "Solution structure of omega conotoxin bu8" . ., .-..
Assembly members:
Omega-conotoxin, polymer, 26 residues, 2767.225 Da.
Natural source: Common Name: Bubble cone Taxonomy ID: 89438 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Conus bullatus
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
Omega-conotoxin: CKRKGSSCRRTSYDCCTGSC
RNGKCX
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 135 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 26 residues - 2767.225 Da.
| 1 | CYS | LYS | ARG | LYS | GLY | SER | SER | CYS | ARG | ARG | ||||
| 2 | THR | SER | TYR | ASP | CYS | CYS | THR | GLY | SER | CYS | ||||
| 3 | ARG | ASN | GLY | LYS | CYS | NH2 |
Samples:
sample_1: Omega-conotoxin mM; sodium phosphate 50 mM; H2O 90%; D2O, [U-2H], 10%
sample_conditions_1: ionic strength: 250 mM; pH: 3.5; pressure: 1 atm; 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 DQF-COSY | sample_1 | isotropic | sample_conditions_1 |
Software:
CARA, Keller and Wuthrich - chemical shift assignment, peak picking
CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinement
CYANA, Guntert, Mumenthaler and Wuthrich - structure calculation
NMR spectrometers:
- Bruker AvanceIII 850 MHz