BMRB Entry 5674
Click here to enlarge.
PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR5674
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: Li, D.; Lu, S.; Gu, X.; Liang, S.. "Three-Dimensional Solution Structure of Hainantoxin-Iv by 2D 1H-NMR" .
Assembly members:
hainantoxin-IV, polymer, 36 residues, Formula weight is not available
Natural source: Common Name: Chinese bird spider Taxonomy ID: 209901 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Selenocosmia hainana
Experimental source: Production method: purified from the natural source
Entity Sequences (FASTA):
hainantoxin-IV: ECLGFGKGCNPSNDQCCKSS
NLVCSRKHRWCKYEIX
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 203 |
| coupling constants | 14 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | HAINANTOXIN-IV | 1 |
Entities:
Entity 1, HAINANTOXIN-IV 36 residues - Formula weight is not available
| 1 | GLU | CYS | LEU | GLY | PHE | GLY | LYS | GLY | CYS | ASN | ||||
| 2 | PRO | SER | ASN | ASP | GLN | CYS | CYS | LYS | SER | SER | ||||
| 3 | ASN | LEU | VAL | CYS | SER | ARG | LYS | HIS | ARG | TRP | ||||
| 4 | CYS | LYS | TYR | GLU | ILE | NH2 |
Samples:
sample_1: hainantoxin-IV 5.5 mM; L deuterium acetic acid buffer 20 mM; H2O 90%; D2O 10%
sample_2: hainantoxin-IV 5.5 mM; L deuterium acetic acid buffer 20 mM; D2O 100%
sample_cond_1: ionic strength: 20 mM; pH: 4.00; pressure: 1 atm; temperature: 288.00 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| NOESY | not available | not available | sample_cond_1 |
| DQF-COSY | not available | not available | sample_cond_1 |
| TOCSY | not available | not available | sample_cond_1 |
Software:
X-PLOR v3.851 - refinement
FELIX v98.0 - structure solution
NMR spectrometers:
- BRUKER DRX 500 MHz