BMRB Entry 4443
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR4443
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Title: NMR Solution Structure of Butantoxin
Deposition date: 1999-10-19 Original release date: 2000-07-11
Authors: Holaday, S.; Martin, Brian; Fletcher, Paul; Krishna, N.
Citation: Holaday, S.; Martin, Brian; Fletcher, Paul; Krishna, N.. "NMR Solution Structure of Butantoxin" Arch. Biochem. Biophys. 379, 18-27 (2000).
Assembly members:
butantoxin, polymer, 40 residues, 4508 Da.
Natural source: Common Name: Brazilian scorpion Taxonomy ID: 6887 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Tityus serrulatus
Experimental source: Production method: purified from the natural_source
Entity Sequences (FASTA):
butantoxin: WCSTCLDLACGASRECYDPC
FKAFGRAHGKCMNNKCRCYT
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 149 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | butantoxin | 1 |
Entities:
Entity 1, butantoxin 40 residues - 4508 Da.
| 1 | TRP | CYS | SER | THR | CYS | LEU | ASP | LEU | ALA | CYS | |
| 2 | GLY | ALA | SER | ARG | GLU | CYS | TYR | ASP | PRO | CYS | |
| 3 | PHE | LYS | ALA | PHE | GLY | ARG | ALA | HIS | GLY | LYS | |
| 4 | CYS | MET | ASN | ASN | LYS | CYS | ARG | CYS | TYR | THR |
Samples:
sample_1: butantoxin 1.0 mM
Ex-cond_1: ionic strength: 0.05 M; pH: 5.0; temperature: 283 K
Ex-cond_2: ionic strength: 0.05 M; pH: 5.0; temperature: 293 K
Ex-cond_3: ionic strength: 0.05 M; pH: 5.0; temperature: 313 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H COSY | sample_1 | not available | not available |
| 2D 1H-1H DQF-COSY | sample_1 | not available | not available |
| 2D 1H-1H NOESY | sample_1 | not available | not available |
| 2D 1H-1H TOCSY | sample_1 | not available | not available |
Software:
FELIX v97.2 - data processing, 1H peak assignments
NMR spectrometers:
- Bruker AMX 600 MHz