BMRB Entry 4988
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR4988
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Title: Three Dimensional Solution Structure of Huwentoxin-II BY 2D 1H-NMR
Deposition date: 2001-04-12 Original release date: 2001-05-11
Authors: Shu, Qin; Lu, Shan-yun; Gu, Xiao-chen; Liang, Song-ping
Citation: Shu, Q.; Lu, S.; Gu, X.; Liang, S.. "Three-dimensional Solution Structure Determination of Huwentoxin-II by 2D 1H-NMR" . ., .-..
Assembly members:
Huwentoxin-II, polymer, 37 residues, 4284.3 Da.
Natural source: Common Name: Chinese bird spider Taxonomy ID: 29017 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Selenocosmia huwena
Experimental source: Production method: purified from the natural source
Entity Sequences (FASTA):
Huwentoxin-II: LFECSFSCEIEKEGDKPCKK
KKCKGGWKCKFNMCVKV
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 267 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | HUWENTOXIN-II(Ile, 10) | 1 |
Entities:
Entity 1, HUWENTOXIN-II(Ile, 10) 37 residues - 4284.3 Da.
| 1 | LEU | PHE | GLU | CYS | SER | PHE | SER | CYS | GLU | ILE | ||||
| 2 | GLU | LYS | GLU | GLY | ASP | LYS | PRO | CYS | LYS | LYS | ||||
| 3 | LYS | LYS | CYS | LYS | GLY | GLY | TRP | LYS | CYS | LYS | ||||
| 4 | PHE | ASN | MET | CYS | VAL | LYS | VAL |
Samples:
sample_1: Huwentoxin-II 4 mM; phosphate buffer 20 mM; H2O 90%; D2O 10%
sample_2: Huwentoxin-II 4 mM; phosphate buffer 20 mM; D2O 100%
sample_cond_1: ionic strength: 20 mM; pH: 5.4; pressure: 1 atm; temperature: 300 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| NOESY | not available | not available | not available |
| DQF-COSY | not available | not available | not available |
| TOCSY | not available | not available | not available |
| E-COSY | not available | not available | not available |
Software:
FELIX v98.0 - data analysis
X-PLOR v3.851 - refinement
NMR spectrometers:
- Bruker DMX 500 MHz