BMRB Entry 19519
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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/BMR19519
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Title: NMR solution structure of the GS-TAMAPIN MUTATION R6A. PubMed: 24821061
Deposition date: 2013-09-23 Original release date: 2014-05-27
Authors: del Rio-Portilla, F.; Ramirez-Cordero, B.
Citation: Ramirez-Cordero, Belen; Toledano, Yanis; Cano-Sanchez, Patricia; Hernandez-Lopez, Rogelio; Flores-Solis, David; Saucedo-Yanez, Alma; Chavez-Uribe, Isabel; Brieba, Luis; Del Rio-Portilla, Federico. "Cytotoxicity of recombinant tamapin and related toxin-like peptides on model cell lines." Chem. Res. Toxicol. 27, 960-967 (2014).
Assembly members:
entity, polymer, 33 residues, 3528.202 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
Entity Sequences (FASTA):
entity: GSAFCNLARCELSCRSLGLL
GKCIGEECKCVPY
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 206 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | GS-TAMAPIN MUTATION R6A | 1 |
Entities:
Entity 1, GS-TAMAPIN MUTATION R6A 33 residues - 3528.202 Da.
| 1 | GLY | SER | ALA | PHE | CYS | ASN | LEU | ALA | 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-TAMAPIN MUTATION R6A 3 ± 0.1 mM; H2O 95%; D2O 5%
sample_conditions_1: pH: 3.4; pressure: 1 atm; temperature: 273 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D DQF-COSY | 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 |
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
Software:
AMBER v99, Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman - refinement
NMR spectrometers:
- Varian INOVA 500 MHz