BMRB Entry 30420
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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/BMR30420
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Title: Structure of a new ShKT peptide from the sea anemone Oulactis sp: OspTx2a-p2
Deposition date: 2018-02-28 Original release date: 2019-03-01
Authors: Sunanda, P.; Krishnarjuna, B.; Norton, R.
Citation: Sunanda, P.; Krishnarjuna, B.; Norton, R.. "Structure of a new ShKT peptide from the sea anemone Oulactis sp: OspTx2a-p2" . ., .-..
Assembly members:
entity_1, polymer, 36 residues, 3801.426 Da.
Natural source: Common Name: Oulactis Taxonomy ID: 308031 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Oulactis not available
Experimental source: Production method: na
Entity Sequences (FASTA):
entity_1: ACKDVFPAATCRHAKSVGNC
SSEKYKRNCAITCGAC
- assigned_chemical_shifts
- spectral_peak_list
| Data type | Count |
| 15N chemical shifts | 38 |
| 1H chemical shifts | 224 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 36 residues - 3801.426 Da.
| 1 | ALA | CYS | LYS | ASP | VAL | PHE | PRO | ALA | ALA | THR | ||||
| 2 | CYS | ARG | HIS | ALA | LYS | SER | VAL | GLY | ASN | CYS | ||||
| 3 | SER | SER | GLU | LYS | TYR | LYS | ARG | ASN | CYS | ALA | ||||
| 4 | ILE | THR | CYS | GLY | ALA | CYS |
Samples:
sample_1: OspTx2a-p2 1 mM
sample_conditions_1: pH: 5; pressure: 1 atm; temperature: 293 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 1D 1H | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D DQF-COSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | 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:
TOPSPIN, Bruker Biospin - collection, processing
CcpNMR, CCPN - chemical shift assignment
CYANA, Guntert, Mumenthaler and Wuthrich - structure calculation
NMR spectrometers:
- Bruker Avance 600 MHz
Download simulated HSQC data in one of the following formats:
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SPARKY: Backbone
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