BMRB Entry 34212
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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/BMR34212
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Title: NMR structure of purotoxin-6
Deposition date: 2017-12-04 Original release date: 2018-12-14
Authors: Nadezhdin, K.; Oparin, P.; Vassilevski, A.; Arseniev, A.; Grishin, E.
Citation: Nadezhdin, K.. "NMR structure of purotoxin-6" . ., .-..
Assembly members:
entity_1, polymer, 31 residues, 3327.023 Da.
Natural source: Common Name: Thomisus onustus Taxonomy ID: 1872008 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Thomisus onustus
Experimental source: Production method: recombinant technology Host organism: Escherichia coli 'BL21-Gold(DE3)pLysS AG'
Entity Sequences (FASTA):
entity_1: GYCATKGIKCNDIHCCSGLK
CDSKRKVCVKG
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 78 |
| 1H chemical shifts | 213 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 31 residues - 3327.023 Da.
| 1 | GLY | TYR | CYS | ALA | THR | LYS | GLY | ILE | LYS | CYS | ||||
| 2 | ASN | ASP | ILE | HIS | CYS | CYS | SER | GLY | LEU | LYS | ||||
| 3 | CYS | ASP | SER | LYS | ARG | LYS | VAL | CYS | VAL | LYS | ||||
| 4 | GLY |
Samples:
sample_1: purotoxin-6 0.6 mM
sample_2: purotoxin-6 0.6 mM
sample_conditions_1: ionic strength: 0 mM; pH: 3.0; pressure: 1 atm; temperature: 303 K
sample_conditions_2: ionic strength: 0 mM; pH: 3.0 pD; pressure: 1 atm; temperature: 303 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D NOESY | sample_2 | isotropic | sample_conditions_2 |
Software:
CYANA, Guntert, Mumenthaler and Wuthrich - refinement, structure calculation
TOPSPIN, Bruker Biospin - collection, processing
CARA, Keller and Wuthrich - chemical shift assignment, peak picking
NMR spectrometers:
- Bruker Avance 700 MHz