BMRB Entry 6222
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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/BMR6222
MolProbity Validation Chart
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NMR-STAR v3 text file.
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Citation: Lee, C.; Min, H.; Cho, E.; Kohno, T.; Eu, Y.; Kim, J.. "Solution Structure of Kurtoxin" .
Assembly members:
scorpion toxin, polymer, 63 residues, Formula weight is not available
Natural source: Common Name: South African fattail scorpion Taxonomy ID: 170972 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Parabuthus Parabuthus transvaalicus
Experimental source: Production method: recombinant technology
Entity Sequences (FASTA):
scorpion toxin: KIDGYPVDYWNCKRICWYNN
KYCNDLCKGLKADSGYCWGW
TLSCYCQGLPDNARIKRSGR
CRA
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 432 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Kurtoxin | 1 |
Entities:
Entity 1, Kurtoxin 63 residues - Formula weight is not available
| 1 | LYS | ILE | ASP | GLY | TYR | PRO | VAL | ASP | TYR | TRP | ||||
| 2 | ASN | CYS | LYS | ARG | ILE | CYS | TRP | TYR | ASN | ASN | ||||
| 3 | LYS | TYR | CYS | ASN | ASP | LEU | CYS | LYS | GLY | LEU | ||||
| 4 | LYS | ALA | ASP | SER | GLY | TYR | CYS | TRP | GLY | TRP | ||||
| 5 | THR | LEU | SER | CYS | TYR | CYS | GLN | GLY | LEU | PRO | ||||
| 6 | ASP | ASN | ALA | ARG | ILE | LYS | ARG | SER | GLY | ARG | ||||
| 7 | CYS | ARG | ALA |
Samples:
sample_1: scorpion toxin, [U-15N; U-13C], 1 mM; CD3CN 25%; D2O 10%; H2O 65%
sample_condition_1: ionic strength: 0 M; pH: 4.0; pressure: 1 atm; temperature: 288 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D NOESY | not available | not available | not available |
| 2D TOCSY | not available | not available | not available |
| DQF-COSY | not available | not available | not available |
| 3D 15N-separated NOESY | not available | not available | not available |
| HNHA | not available | not available | not available |
| E-COSY | not available | not available | not available |
Software:
AZARA v2.5 - processing
ANSIG v3.3 - data analysis
X-PLOR v3.851 - refinement, structure solution
NMR spectrometers:
- Bruker AVANCE 600 MHz