BMRB Entry 30315
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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/BMR30315
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Title: AsK132958: A minimal homologue of ShK identified in the transcriptome of Anemonia sulcata PubMed: 28993277
Deposition date: 2017-07-02 Original release date: 2017-10-19
Authors: Krishnarjuna, B.; MacRaild, C.; Norton, R.
Citation: Krishnarjuna, Bankala; MacRaild, Christopher; Sunanda, Punnepalli; Morales, Rodrigo; Peigneur, Steve; Macrander, Jason; Yu, Heidi; Daly, Marymegan; Raghothama, Srinivasarao; Dhawan, Vikas; Chauhan, Satendra; Tytgat, Jan; Pennington, Michael; Norton, Raymond. "Structure, folding and stability of a minimal homologue from Anemonia sulcata of the sea anemone potassium channel blocker ShK" Peptides 99, 169-178 (2017).
Assembly members:
ShK homolog AsK132958, polymer, 29 residues, 3134.659 Da.
Natural source: Common Name: snake-locks sea anemone Taxonomy ID: 6108 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Anemonia Sulcata
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
ShK homolog AsK132958: CENTISGCSRADCLLTHRKQ
GCQKTCGLC
- assigned_chemical_shifts
- spectral_peak_list
| Data type | Count |
| 15N chemical shifts | 33 |
| 1H chemical shifts | 187 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 29 residues - 3134.659 Da.
| 1 | CYS | GLU | ASN | THR | ILE | SER | GLY | CYS | SER | ARG | ||||
| 2 | ALA | ASP | CYS | LEU | LEU | THR | HIS | ARG | LYS | GLN | ||||
| 3 | GLY | CYS | GLN | LYS | THR | CYS | GLY | LEU | CYS |
Samples:
sample_1: AsK132958 1 mM
sample_conditions_1: ionic strength: 0 Not defined; pH: 4; 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_1 | isotropic | sample_conditions_1 |
| 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 |
| 1D 1H | sample_1 | isotropic | sample_conditions_1 |
Software:
Analysis, CCPN - chemical shift assignment, peak picking
CYANA, Guntert, Mumenthaler and Wuthrich - structure calculation
XPLOR-NIH, G. Marius Clore, Guillermo Bermejo, John Kuszewski, Charles D. Schwieters, and Nico Tjandra - refinement
NMR spectrometers:
- Bruker AvanceIII 600 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts