BMRB Entry 30607
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR30607
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Title: U-AITx-Ate1 PubMed: 31302115
Deposition date: 2019-04-28 Original release date: 2019-07-26
Authors: Elnahriry, K.; Wai, D.; Norton, R.
Citation: Elnahriry, K.; Wai, D.; Krishnarjuna, B.; Badawy, N.; Chittoor, B.; MacRaild, C.; Williams-Noonan, B.; Surm, J.; Chalmers, D.; Zhang, A.; Peigneur, S.; Mobli, M.; Tytgat, J.; Prentis, P.; Norton, R.. "Structural and functional characterisation of a novel peptide from the Australian sea anemone Actinia tenebrosa." Toxicon ., .-. (2019).
Assembly members:
entity_1, polymer, 13 residues, 1478.782 Da.
Natural source: Common Name: sea anemones Taxonomy ID: 6105 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Actinia tenebrosa
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
entity_1: SKWICANRSVCPI
- assigned_chemical_shifts
- spectral_peak_list
| Data type | Count |
| 1H chemical shifts | 85 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 13 residues - 1478.782 Da.
| 1 | SER | LYS | TRP | ILE | CYS | ALA | ASN | ARG | SER | VAL | ||||
| 2 | CYS | PRO | ILE |
Samples:
sample_1: U-AITx-Ate1 1.5 ± 0.0002 mM
sample_2: U-AITx-Ate1 1 ± 0.01 mM
sample_conditions_1: ionic strength: 0 mM; pH: 4; pressure: 1 atm; temperature: 283 K
sample_conditions_2: ionic strength: 0 mM; pH: 4.5; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_2 | isotropic | sample_conditions_2 |
| 2D DQF-COSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
Software:
CYANA v3.97, Guntert, Mumenthaler and Wuthrich - structure calculation
XPLOR-NIH v2.45, Schwieters, Kuszewski, Tjandra and Clore - refinement
TopSpin v3.5pl7, Bruker - chemical shift assignment
NMRFAM-SPARKY v3.114, Lee, W., Tonelli, M., Markley, J.L. - data analysis
NMR spectrometers:
- Bruker AVANCE III 600 MHz
- Bruker AVANCE III 900 MHz