BMRB Entry 25452
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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/BMR25452
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Title: Omega-Tbo-IT1 selective inhibitor of insect calcium channels isolated from Tibellus oblongus spider venom PubMed: 26611444
Deposition date: 2015-01-23 Original release date: 2015-12-07
Authors: Altukhov, Dmitry; Bozin, Timur; Bocharov, Eduard; Kozlov, Sergey; Mikov, Alexander
Citation: Mikov, Alexander; Fedorova, Irina; Potapieva, Natalia; Maleeva, Ekaterina; Bocharov, Eduard; Bozin, Timur; Altukhov, Dmitry; Lipkin, Alexey; Kozlov, Sergey; Tikhonov, Denis; Grishin, Eugene. "omega-Tbo-IT1-New Inhibitor of Insect Calcium Channels Isolated from Spider Venom" Sci. Rep. 5, 17232-17232 (2015).
Assembly members:
Omega-Tbo-IT1, polymer, 41 residues, 4348.176 Da.
Natural source: Common Name: Slender Crab Spider Taxonomy ID: 336685 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Tibellus oblongus
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
Omega-Tbo-IT1: CASKNERCGNALYGTKGPGC
CNGKCICRTVPRKGVNSCRC
M
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 114 |
| 1H chemical shifts | 247 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Omega-Tbo-IT1 | 1 |
Entities:
Entity 1, Omega-Tbo-IT1 41 residues - 4348.176 Da.
| 1 | CYS | ALA | SER | LYS | ASN | GLU | ARG | CYS | GLY | ASN | ||||
| 2 | ALA | LEU | TYR | GLY | THR | LYS | GLY | PRO | GLY | CYS | ||||
| 3 | CYS | ASN | GLY | LYS | CYS | ILE | CYS | ARG | THR | VAL | ||||
| 4 | PRO | ARG | LYS | GLY | VAL | ASN | SER | CYS | ARG | CYS | ||||
| 5 | MET |
Samples:
sample_H2O: Omega-Tbo-IT1 1.5 ± 0.2 mM; sodium phosphate buffer 20 mM; NaCl 30 mM; D2O 10%; H2O 90%
sample_D2O: Omega-Tbo-IT1 1.5 ± 0.2 mM; sodium phosphate buffer 20 mM; NaCl 30 mM; D2O 100%
sample_conditions_1: ionic strength: 0.06 M; pH: 5.8; pressure: 1 atm; temperature: 285 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H TOCSY | sample_H2O | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_H2O | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_H2O | isotropic | sample_conditions_1 |
| 2D DQF-COSY | sample_D2O | isotropic | sample_conditions_1 |
Software:
CYANA v3.0, Guntert, Mumenthaler and Wuthrich - structure solution
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - data analysis
ACME, Delaglio, Zhengrong and Bax - processing
Molmol, Koradi, Billeter and Wuthrich - processing
CARA, Keller and Wuthrich - chemical shift assignment, peak picking
NMRDraw, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - data analysis
NMR spectrometers:
- Varian Uniform NMR System 700 700 MHz