BMRB Entry 17987
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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/BMR17987
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry
Citation: Saucedo, Alma Leticia; Flores-Solis, David; Rodriguez de la Vega, Ricardo; Ramirez-Cordero, Belen; Hernandez-Lopez, Rogelio; Cano-Sanchez, Patricia; Noriega Navarro, Roxana; Garcia-Valdes, Jesus; Coronas-Valderrama, Fredy; de Roodt, Adolfo; Brieba, Luis; Domingos Possani, Lourival; del Rio-Portilla, Federico. "New tricks of an old pattern: structural versatility of scorpion toxins with common cysteine spacing." J. Biol. Chem. 287, 12321-12330 (2012).
PubMed: 22238341
Assembly members:
Ts16, polymer, 31 residues, 3460.127 Da.
Natural source: Common Name: Brazilian scorpion Taxonomy ID: 6887 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Tityus serrulatus
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: Modified Pet32a
Entity Sequences (FASTA):
Ts16: GSGCMKEYCAGQCRGKVSQD
YCLKHCKCIPR
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 192 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Ts16 | 1 |
Entities:
Entity 1, Ts16 31 residues - 3460.127 Da.
| 1 | GLY | SER | GLY | CYS | MET | LYS | GLU | TYR | CYS | ALA | ||||
| 2 | GLY | GLN | CYS | ARG | GLY | LYS | VAL | SER | GLN | ASP | ||||
| 3 | TYR | CYS | LEU | LYS | HIS | CYS | LYS | CYS | ILE | PRO | ||||
| 4 | ARG |
Samples:
sample: Ts16 1.4 mM; H2O 95%; D2O 5%
sample_conditions_1: pH: 3.5; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| DQFCOSY | sample | isotropic | sample_conditions_1 |
| TOCSY | sample | isotropic | sample_conditions_1 |
| NOESY | sample | isotropic | sample_conditions_1 |
| NOESY | sample | isotropic | sample_conditions_1 |
Software:
AMBER, Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm - refinement
NMR spectrometers:
- Varian Inova 500 MHz
- Varian VNMRS 700 MHz