BMRB Entry 30406
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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/BMR30406
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Title: Solution NMR Structure of Conotoxin G117 from Conus geographus PubMed: 33530397
Deposition date: 2018-02-12 Original release date: 2018-03-05
Authors: Armstrong, D.; Rosengren, K.
Citation: Armstrong, David; Jin, Ai-Hua; Braga Emidio, Nayara; Lewis, Richard; Alewood, Paul; Rosengren, K Johan. "Chemical Synthesis and NMR Solution Structure of Conotoxin GXIA from Conus geographus" Mar. Drugs 19, 60-60 (2021).
Assembly members:
entity_1, polymer, 32 residues, 3344.945 Da.
Natural source: Common Name: Geography cone Taxonomy ID: 6491 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Conus geographus
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
entity_1: CAVTHEKCSDDYDCCGSLCC
VGICAKTIAPCK
- assigned_chemical_shifts
- spectral_peak_list
| Data type | Count |
| 13C chemical shifts | 66 |
| 15N chemical shifts | 29 |
| 1H chemical shifts | 170 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 32 residues - 3344.945 Da.
| 1 | CYS | ALA | VAL | THR | HIS | GLU | LYS | CYS | SER | ASP | ||||
| 2 | ASP | TYR | ASP | CYS | CYS | GLY | SER | LEU | CYS | CYS | ||||
| 3 | VAL | GLY | ILE | CYS | ALA | LYS | THR | ILE | ALA | PRO | ||||
| 4 | CYS | LYS |
Samples:
sample_1: conotoxin G117 1 mg/mL
sample_2: conotoxin G117 1 mg/mL
sample_conditions_1: ionic strength: 0 M; pH: 5.1; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 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_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H ECOSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_2 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_2 | isotropic | sample_conditions_1 |
Software:
CYANA v3.96, Guntert, Mumenthaler and Wuthrich - structure calculation
CNS v1.2, Brunger, Adams, Clore, Gros, Nilges and Read - refinement
CARA, Keller and Wuthrich - chemical shift assignment, data analysis
TALOS, Cornilescu, Delaglio and Bax - data analysis
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