BMRB Entry 17227
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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/BMR17227
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
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Citation: Ramirez-Cordero, B.; Toledano, Y.; Cano-Sanchez, P.; Hernandez-Lopez, R.; Flores-Solis, D.; Saucedo-Yanez, A.; Chavez-Uribe, I.; Brieba, L.; Del Rio-Portilla, F.. "Cytotoxicity of recombinant tamapin and related toxin-like peptides on model cell lines" Chem. Res. Toxicol. 27, 960-967 (2014).
PubMed: 24821061
Assembly members:
GS-alfa-Ktx5.4_SCORPION_TOXIN, polymer, 33 residues, 3614.318 Da.
Natural source: Common Name: Indian red scorpion Taxonomy ID: 34647 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Mesobuthus tamulus
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: Modified pET32a
Entity Sequences (FASTA):
GS-alfa-Ktx5.4_SCORPION_TOXIN: GSAFCNLRRCELSCRSLGLL
GKCIGEECKCVPY
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 201 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | GS-alfa-Ktx5.4 SCORPION TOXIN | 1 |
Entities:
Entity 1, GS-alfa-Ktx5.4 SCORPION TOXIN 33 residues - 3614.318 Da.
| 1 | GLY | SER | ALA | PHE | CYS | ASN | LEU | ARG | ARG | CYS | ||||
| 2 | GLU | LEU | SER | CYS | ARG | SER | LEU | GLY | LEU | LEU | ||||
| 3 | GLY | LYS | CYS | ILE | GLY | GLU | GLU | CYS | LYS | CYS | ||||
| 4 | VAL | PRO | TYR |
Samples:
sample_1: GS-alfa-Ktx5.4 SCORPION TOXIN 1.8 mM; H2O 95%; D2O 5%
sample_conditions_1: pH: 6.5; pressure: 1 atm; temperature: 297 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D DQF -COSY | sample_1 | isotropic | sample_conditions_1 |
Software:
CYANA v2.1, Guntert, Mumenthaler and Wuthrich - structure solution
AMBER v9, Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm - refinement
XEASY_MOLMOL_2K.2 v2K.2, Bartels et al. - chemical shift assignment
Procheck v3.5.4, Laskowski, MacArthur, Smith, Jones, Hutchinson, Morris, Moss and Tho - data analysis
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
Molmol v2k.2, Koradi, Billeter and Wuthrich - data analysis
NMR spectrometers:
- VARIAN INOVA 800 MHz
- Varian INOVA 500 MHz