BMRB Entry 18766
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Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR18766
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Title: Spatial stucture of PI-AnmTX Ugr 9a-1 PubMed: 23801332
Deposition date: 2012-10-08 Original release date: 2013-07-01
Authors: Mineev, Konstantin; Arseniev, Alexander
Citation: Osmakov, Dmitry; Kozlov, Sergey; Andreev, Yaroslav; Koshelev, Sergey; Sanamyan, Nadezhda; Sanamyan, Karen; Dyachenko, Igor; Bondarenko, Dmitry; Murashev, Arkadii; Mineev, Konstantin; Arseniev, Alexander; Grishin, Eugene. "Sea anemone peptide with uncommon -hairpin structure inhibits acid-sensing ion channel 3 (ASIC3) and reveals analgesic activity." J. Biol. Chem. 288, 23116-23127 (2013).
Assembly members:
UGTX, polymer, 29 residues, 3142.515 Da.
Natural source: Common Name: sea anemones Taxonomy ID: 45620 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Urticina grebelnyi
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
UGTX: ISIDPPCRFCYHRDGSGNCV
YDAYGCGAV
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 77 |
| 1H chemical shifts | 173 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | PI-AnmTX Ugr 9a-1 | 1 |
Entities:
Entity 1, PI-AnmTX Ugr 9a-1 29 residues - 3142.515 Da.
| 1 | ILE | SER | ILE | ASP | PRO | PRO | CYS | ARG | PHE | CYS | ||||
| 2 | TYR | HIS | ARG | ASP | GLY | SER | GLY | ASN | CYS | VAL | ||||
| 3 | TYR | ASP | ALA | TYR | GLY | CYS | GLY | ALA | VAL |
Samples:
sample_1: UGTX 2 mM; potassium phosphate 50 mM; H2O 90%; D2O 10%
sample_conditions_1: ionic strength: 50 mM; pH: 5.0; pressure: 1 atm; temperature: 303 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-13C HSQC | 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 DQF-COSY | sample_1 | isotropic | sample_conditions_1 |
Software:
TOPSPIN v3.0.3, Cornilescu, Delaglio and Bax - collection, processing
CARA v1.9.4, Keller and Wuthrich - chemical shift assignment, data analysis
CYANA v3.0, Guntert, Mumenthaler and Wuthrich - data analysis, structure solution
NMR spectrometers:
- Bruker Avance 700 MHz
Related Database Links:
| PDB |