BMRB Entry 15382
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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/BMR15382
MolProbity Validation Chart
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NMR-STAR v3 text file.
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Citation: Peng, Kuan; Lin, Y.; Liang, Songping. "Nuclear magnetic resonance studies on huwentoxin-XI from the Chinese bird spider
Ornithoctonus huwena: 15N labeling and sequence-specific 1H, 15N nuclear
magnetic resonance assignments" Acta Biochim. Biophys. Sin. (Shanghai) 38, 457-466 (2006).
PubMed: 16820861
Assembly members:
Huwentoxin-xi, polymer, 55 residues, 6185.185 Da.
Natural source: Common Name: Chinese bird spider Taxonomy ID: 29017 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Ornithoctonus huwena
Experimental source: Production method: recombinant technology Host organism: Saccharomyces cerevisiae strain S-78 Vector: pVT102U
Entity Sequences (FASTA):
Huwentoxin-xi: IDTCRLPSDRGRCKASFERW
YFNGRTCAKFIYGGCGGNGN
KFPTQDACMKRCAKA
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 374 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Huwentoxin-xi | 1 |
Entities:
Entity 1, Huwentoxin-xi 55 residues - 6185.185 Da.
| 1 | ILE | ASP | THR | CYS | ARG | LEU | PRO | SER | ASP | ARG | ||||
| 2 | GLY | ARG | CYS | LYS | ALA | SER | PHE | GLU | ARG | TRP | ||||
| 3 | TYR | PHE | ASN | GLY | ARG | THR | CYS | ALA | LYS | PHE | ||||
| 4 | ILE | TYR | GLY | GLY | CYS | GLY | GLY | ASN | GLY | ASN | ||||
| 5 | LYS | PHE | PRO | THR | GLN | ASP | ALA | CYS | MET | LYS | ||||
| 6 | ARG | CYS | ALA | LYS | ALA |
Samples:
sample_1: Huwentoxin-xi 5 mM
sample_2: Huwentoxin-xi, [U-100% 15N], 5 mM
sample_conditions_1: ionic strength: 50 mM; pH: 4.0; pressure: 1 atm; temperature: 303 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-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
CNS, Brunger, Adams, Clore, Gros, Nilges and Read - structure solution
NMR spectrometers:
- Bruker Avance 800 MHz
- Bruker Avance 500 MHz
- Bruker Avance 600 MHz