BMRB Entry 31054
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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/BMR31054
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NMR-STAR v3 text file.
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Title: Structure of elevenin-Vc1 from venom of the Australian cone snail Conus victoriae PubMed: 36827123
Deposition date: 2022-11-01 Original release date: 2023-09-06
Authors: Krishnarjuna, B.; Sunanda, P.; Norton, R.
Citation: Krishnarjuna, Bankala; Sunanda, Punnepalli; Seow, Jeffrey; Tae, Han-Shen; Robinson, Samuel; Belgi, Alessia; Robinson, Andrea; Safavi-Hemami, Helena; Adams, David; Norton, Raymond. "Characterisation of Elevenin-Vc1 from the Venom of Conus victoriae: A Structural Analogue of alpha-Conotoxins" Mar. Drugs 21, 81-81 (2023).
Assembly members:
entity_1, polymer, 19 residues, 2125.605 Da.
Natural source: Common Name: Conus victoriae Taxonomy ID: 319920 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Conus victoriae
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
entity_1: RRIDCKVFVFAPICRGVAA
- assigned_chemical_shifts
- spectral_peak_list
| Data type | Count |
| 13C chemical shifts | 35 |
| 15N chemical shifts | 19 |
| 1H chemical shifts | 141 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | unit_1 | 1 |
Entities:
Entity 1, unit_1 19 residues - 2125.605 Da.
| 1 | ARG | ARG | ILE | ASP | CYS | LYS | VAL | PHE | VAL | PHE | ||||
| 2 | ALA | PRO | ILE | CYS | ARG | GLY | VAL | ALA | ALA |
Samples:
sample_1: Elevenin-Cv1 0.8 mM
sample_conditions_1: pH: 4.5; pressure: 1 atm; temperature: 283 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 1D proton | sample_1 | isotropic | sample_conditions_1 |
| 2D DQF-COSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
Software:
TopSpin, Bruker Biospin - collection, data analysis
CcpNmr Analysis, CCPN - chemical shift assignment, data analysis
CYANA, Guntert, Mumenthaler and Wuthrich - structure calculation
X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement
NMR spectrometers:
- Bruker Avance 600 600 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts