BMRB Entry 34453
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR34453
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Title: Solution structure of MeuNaTxalpha-1 toxin from Mesobuthus Eupeus
Deposition date: 2019-11-20 Original release date: 2020-11-27
Authors: Mineev, K.; Kuzmenkov, A.; Khusainov, G.; Arseniev, A.; Vassilevski, A.
Citation: Mineev, K.; Kuzmenkov, A.; Khusainov, G.; Arseniev, A.; Vassilevski, A.. "Solution structure of MeuNaTxalpha-1 toxin from Mesobuthus Eupeus" .
Assembly members:
entity_1, polymer, 64 residues, 7196.148 Da.
Natural source: Common Name: Lesser Asian scorpion Taxonomy ID: 34648 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Mesobuthus eupeus
Experimental source: Production method: recombinant technology Host organism: Escherichia coli BL21(DE3)
Entity Sequences (FASTA):
entity_1: VRDGYIADDKNCAYFCGRNA
YCDEECKKKGAESGYCQWAG
QYGNACWCYKLPDKVPIKVS
GKCN
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 156 |
| 15N chemical shifts | 65 |
| 1H chemical shifts | 410 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | unit_1 | 1 |
Entities:
Entity 1, unit_1 64 residues - 7196.148 Da.
| 1 | VAL | ARG | ASP | GLY | TYR | ILE | ALA | ASP | ASP | LYS | ||||
| 2 | ASN | CYS | ALA | TYR | PHE | CYS | GLY | ARG | ASN | ALA | ||||
| 3 | TYR | CYS | ASP | GLU | GLU | CYS | LYS | LYS | LYS | GLY | ||||
| 4 | ALA | GLU | SER | GLY | TYR | CYS | GLN | TRP | ALA | GLY | ||||
| 5 | GLN | TYR | GLY | ASN | ALA | CYS | TRP | CYS | TYR | LYS | ||||
| 6 | LEU | PRO | ASP | LYS | VAL | PRO | ILE | LYS | VAL | SER | ||||
| 7 | GLY | LYS | CYS | ASN |
Samples:
sample_1: MeuNaTx1 2 ± 0.2 mM
sample_conditions_1: ionic strength: 30 mM; pH: 7; pressure: 1 atm; temperature: 303 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 DQF-COSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
Software:
CYANA v3.98, Guntert P. - structure calculation
CARA v1.9, Keller and Wuthrich - chemical shift assignment
TopSpin v3.5, Bruker Biospin - processing
NMR spectrometers:
- Bruker AVANCE III 600 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts