BMRB Entry 30405
Click here to enlarge.
PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR30405
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry
Title: Solution NMR structure of the omega conotoxin MoVIB from Conus moncuri PubMed: 30194442
Deposition date: 2018-02-11 Original release date: 2018-03-05
Authors: Rosengren, K.
Citation: Sousa, S.; McArthur, J.; Brust, A.; Bhola, R.; Rosengren, K.; Ragnarsson, L.; Dutertre, S.; Alewood, P.; Christie, M.; Adams, D.; Vetter, I.; Lewis, R.. "Novel analgesic omega-conotoxins from the vermivorous cone snail Conus moncuri provide new insights into the evolution of conopeptides" Sci. Rep. 8, 13397-13397 (2018).
Assembly members:
entity_1, polymer, 30 residues, 3506.154 Da.
Natural source: Common Name: Conus moncuri Taxonomy ID: 6490 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Conus not available
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
entity_1: CKPXGSKCSXSMRDCCTTCI
SYTKRCRKYY
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 176 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 30 residues - 3506.154 Da.
| 1 | CYS | LYS | PRO | HYP | GLY | SER | LYS | CYS | SER | HYP | |
| 2 | SER | MET | ARG | ASP | CYS | CYS | THR | THR | CYS | ILE | |
| 3 | SER | TYR | THR | LYS | ARG | CYS | ARG | LYS | TYR | TYR |
Samples:
sample_1: conotoxin MoVIB 2 mg/mL
sample_2: conotoxin MoVIB 2 mg/mL
sample_conditions_1: ionic strength: 0 M; pH: 5.0; 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-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C 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 |
| 2D 1H-13C HSQC | sample_2 | isotropic | sample_conditions_1 |
Software:
CARA, Keller and Wuthrich - data analysis
CYANA v3.97, Guntert, Mumenthaler and Wuthrich - structure calculation
CNS v1.2, Brunger, Adams, Clore, Gros, Nilges and Read - refinement
TALOS, Cornilescu, Delaglio and Bax - data analysis
NMR spectrometers:
- Bruker AvanceII 900 MHz