BMRB Entry 30538
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR30538
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Title: Solution structure of alpha-KTx-6.21 (UroTx) from Urodacus yaschenkoi
Deposition date: 2018-11-05 Original release date: 2020-03-05
Authors: Chin, Y.; Luna-Ramirez, K.; Anangi, R.; King, G.
Citation: Luna-Ramirez, K.; Finol-Urdaneta, R.; McArthur, J.; Anangi, R.; Chin, Y.; Costi, A.; Panyi, G.; Najera, R.; Gurrola, G.; Possani, L.; Adams, D.; King, G.. "Molecular determinants of the binding or urotoxin and its analogues in Kv1 channels" . ., .-..
Assembly members:
entity_1, polymer, 37 residues, 4028.794 Da.
Natural source: Common Name: Inland robust scorpion Taxonomy ID: 1273102 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Urodacus yaschenkoi
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
entity_1: GDIKCSGTRQCWGPCKKQTT
CTNSKCMNGKCKCYGCV
- assigned_chemical_shifts
- spectral_peak_list
| Data type | Count |
| 13C chemical shifts | 140 |
| 15N chemical shifts | 40 |
| 1H chemical shifts | 217 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 37 residues - 4028.794 Da.
| 1 | GLY | ASP | ILE | LYS | CYS | SER | GLY | THR | ARG | GLN | ||||
| 2 | CYS | TRP | GLY | PRO | CYS | LYS | LYS | GLN | THR | THR | ||||
| 3 | CYS | THR | ASN | SER | LYS | CYS | MET | ASN | GLY | LYS | ||||
| 4 | CYS | LYS | CYS | TYR | GLY | CYS | VAL |
Samples:
sample_1: UroTx, [U-13C; U-15N], 200 uM; sodium acetate 20 mM; D2O 5%
sample_conditions_1: pH: 5; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D HBHA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY aliphatic | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY aromatic | sample_1 | isotropic | sample_conditions_1 |
Software:
CYANA, Guntert, Mumenthaler and Wuthrich - chemical shift assignment, refinement, structure calculation
Analysis, CCPN - chemical shift assignment, data analysis, peak picking
TOPSPIN, Bruker Biospin - collection
TALOS-N, Cornilescu, Delaglio and Bax - geometry optimization
Rowland NMR Toolkit, http://www.rowland.org/rnmrtk/toolkit.html - processing
NMR spectrometers:
- Bruker AvanceIII 900 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts