BMRB Entry 25758
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR25758
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Title: NMR structure of the de-novo toxin Hui1 PubMed: 26627718
Deposition date: 2015-08-17 Original release date: 2015-12-14
Authors: Mendelman, Netanel; Zhao, Ruiming; Goldstein, Steven; Chill, Jordan
Citation: Zhao, R.; Cuello, L.; Mendelman, N.; Chill, J.; Goldstein, S.. "Designer and natural peptide toxin blockers of the KcsA potassium channel identified by phage display" Proc. Natl. Acad. Sci. U. S. A. 112, 7013-7021 (2015).
Assembly members:
Hui1, polymer, 34 residues, 3988.796 Da.
Natural source: Common Name: not available Taxonomy ID: not available Superkingdom: not available Kingdom: not available Genus/species: not available not available
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
Hui1: ACKDYLPKSECTQFRCRTSM
KYRLNLCKKTCGTC
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 49 |
| 15N chemical shifts | 31 |
| 1H chemical shifts | 199 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Hui1 | 1 |
Entities:
Entity 1, Hui1 34 residues - 3988.796 Da.
| 1 | ALA | CYS | LYS | ASP | TYR | LEU | PRO | LYS | SER | GLU | ||||
| 2 | CYS | THR | GLN | PHE | ARG | CYS | ARG | THR | SER | MET | ||||
| 3 | LYS | TYR | ARG | LEU | ASN | LEU | CYS | LYS | LYS | THR | ||||
| 4 | CYS | GLY | THR | CYS |
Samples:
sample_1: sodium phosphate 20 mM; sodium chloride 10 mM; D2O 7%; H2O 93%; Hui1 0.6 mM; sodium azide 0.02%
sample_2: sodium phosphate 20 mM; sodium chloride 10 mM; sodium azide 0.02%; D2O 99.9%; Hui1 0.6 mM
sample_conditions_1: ionic strength: 54 mM; pH: 6.6; 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-NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D_1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D_1H-13C-HMQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_2 | isotropic | sample_conditions_1 |
| 2D_1H-NOESY | sample_2 | isotropic | sample_conditions_1 |
| 2D_1H-15N HSQC | sample_2 | isotropic | sample_conditions_1 |
| 2D_1H-13C-HMQC | sample_2 | isotropic | sample_conditions_1 |
Software:
CNS, Brunger A. T. et.al. - refinement
NMR spectrometers:
- Bruker DRX 700 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts