BMRB Entry 19493
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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/BMR19493
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: Nadezhdin, Kirill; Arseniev, Alexander; Vassilevski, Alexander; Oparin, Peter; Grishin, Evgeny. "NMR structure of purotoxin-2 in water" .
Assembly members:
entity, polymer, 64 residues, 7278.426 Da.
Natural source: Common Name: Lycosa kazakhstanicus Taxonomy ID: 420151 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Lycosa kazakhstanicus
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET-32B
Entity Sequences (FASTA):
entity: AKACTPLLHDCSHDRHSCCR
GDMFKYVCDCFYPEGEDKTE
VCSCQQPKSHKIAEKIIDKA
KTTL
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 393 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity | 1 |
Entities:
Entity 1, entity 64 residues - 7278.426 Da.
| 1 | ALA | LYS | ALA | CYS | THR | PRO | LEU | LEU | HIS | ASP | ||||
| 2 | CYS | SER | HIS | ASP | ARG | HIS | SER | CYS | CYS | ARG | ||||
| 3 | GLY | ASP | MET | PHE | LYS | TYR | VAL | CYS | ASP | CYS | ||||
| 4 | PHE | TYR | PRO | GLU | GLY | GLU | ASP | LYS | THR | GLU | ||||
| 5 | VAL | CYS | SER | CYS | GLN | GLN | PRO | LYS | SER | HIS | ||||
| 6 | LYS | ILE | ALA | GLU | LYS | ILE | ILE | ASP | LYS | ALA | ||||
| 7 | LYS | THR | THR | LEU |
Samples:
sample_1: entity 1 mM
sample_2: entity 1 mM
sample_conditions_1: temperature: 303 K; pH: 3.3; pressure: 1 atm; ionic strength: 0 M
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_2 | isotropic | sample_conditions_1 |
| 2D DQF-COSY | sample_1 | isotropic | sample_conditions_1 |
| 2D DQF-COSY | sample_2 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_2 | isotropic | sample_conditions_1 |
Software:
TOPSPIN v2.1, Bruker Biospin - collection, processing, data analysis
CYANA, Guntert, Mumenthaler and Wuthrich - structure solution
Molmol, Koradi, Billeter and Wuthrich - structure visualization
TALOS-N, Yang Shen, and Ad Bax - angles constrains prediction, refinement, data analysis
CARA v1.8, Keller, R - chemical shift assignment, peak picking, data analysis
NMR spectrometers:
- Bruker Avance 700 MHz