BMRB Entry 34008
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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/BMR34008
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Title: NMR structure of the sea anemone peptide tau-AnmTx Ueq 12-1 with an uncommon fold
Deposition date: 2016-06-14 Original release date: 2017-05-04
Authors: Mineev, K.; Arseniev, A.; Andreev, A.; Kozlov, S.; Logashina, Yu.
Citation: Mineev, K.; Arseniev, A.; Andreev, A.; Kozlov, S.; Logashina, Yu.. "NMR structure of the sea anemone peptide tau-AnmTx Ueq 12-1 with an uncommon fold" . ., .-..
Assembly members:
tau-AnmTx Ueq 12-1, polymer, 45 residues, 4808.258 Da.
Natural source: Common Name: sea anemones Taxonomy ID: 417072 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Urticina eques
Experimental source: Production method: purified from the natural source
Entity Sequences (FASTA):
tau-AnmTx Ueq 12-1: CYPGQPGCGHCSRPNYCEGA
RCESGFHDCGSDHWCDASGD
RCCCA
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 99 |
| 15N chemical shifts | 45 |
| 1H chemical shifts | 233 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 45 residues - 4808.258 Da.
| 1 | CYS | TYR | PRO | GLY | GLN | PRO | GLY | CYS | GLY | HIS | ||||
| 2 | CYS | SER | ARG | PRO | ASN | TYR | CYS | GLU | GLY | ALA | ||||
| 3 | ARG | CYS | GLU | SER | GLY | PHE | HIS | ASP | CYS | GLY | ||||
| 4 | SER | ASP | HIS | TRP | CYS | ASP | ALA | SER | GLY | ASP | ||||
| 5 | ARG | CYS | CYS | CYS | ALA |
Samples:
sample_1: sodium azide 1 mM; tau-AnmTx Ueq 12-1 0.5 ± 0.1 mM; H2O 95%; D2O 5%
sample_2: sodium azide 1 mM; tau-AnmTx Ueq 12-1 0.5 ± 0.1 mM; D2O 100%
sample_conditions_1: ionic strength: 10 mM; pH: 3.2; pressure: 1 atm; temperature: 303 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | 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 NOESY | sample_2 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_2 | isotropic | sample_conditions_1 |
| 2D DQF-COSY | sample_2 | isotropic | sample_conditions_1 |
Software:
CARA v1.9.4, Keller and Wuthrich - chemical shift assignment
CYANA v3.0, Guntert, Mumenthaler and Wuthrich - structure calculation
TOPSPIN, Bruker Biospin - processing
NMR spectrometers:
- Bruker Avance 700 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts