BMRB Entry 30719
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR30719
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Title: NMR solution structure of tamapin, mutant K20A
Deposition date: 2020-01-29 Original release date: 2020-07-27
Authors: del Rio Portilla, F.; Melchor Meneses, C.; Mayorga Flores, M.
Citation: Mayorga Flores, M.; Toledano Magana, Y.; Melchor Meneses, C.; Lopez Giraldo, A.; Titaux Delgado, G.; Garcia Ramos, J.; Cano Sanchez, P.; Araiza Olivera, D.; Galindo Murillo, R.; del Rio Portilla, F.. "Cytotoxic activity of blocker scorpion toxins over cancer cells which constitutively express SK2 and SK3 potassium channels" . ., .-..
Assembly members:
entity_1, polymer, 31 residues, 3412.083 Da.
Natural source: Common Name: Eastern Indian scorpion Taxonomy ID: 34647 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Hottentotta tamulus
Experimental source: Production method: recombinant technology Host organism: Escherichia coli BL21(DE3)
Entity Sequences (FASTA):
entity_1: AFCNLRRCELSCRSLGLLGA
CIGEECKCVPY
- assigned_chemical_shifts
- spectral_peak_list
| Data type | Count |
| 1H chemical shifts | 203 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 31 residues - 3412.083 Da.
| 1 | ALA | PHE | CYS | ASN | LEU | ARG | ARG | CYS | GLU | LEU | ||||
| 2 | SER | CYS | ARG | SER | LEU | GLY | LEU | LEU | GLY | ALA | ||||
| 3 | CYS | ILE | GLY | GLU | GLU | CYS | LYS | CYS | VAL | PRO | ||||
| 4 | TYR |
Samples:
sample_1: sample_k20a 2.2 mM
sample_conditions_1: ionic strength: 0 mM; pH: 6.2; 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 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
Amber vAMBER16, Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, and Kollman - refinement
CYANA vCYANA 2.1, Guntert, Mumenthaler and Wuthrich - structure calculation
CARA vCARA 1.8, Keller and Wuthrich - chemical shift assignment, peak picking
NMRPipe vNMRPIPE 2014, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
NMR spectrometers:
- Varian INOVA 500 MHz