BMRB Entry 4561
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR4561
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Citation: Hemmi, Hikaru; Sreekumar, Raghava; Walker, Jeffery; Valdivia, Hector; Markley, John; Westler, William. "Solution Structure of Imperatoxin A (IpTxa) from the scorpion P. imperator
Determined by 1H-NMR Spectroscopy" Biochemistry ., .-..
Assembly members:
Imperatoxin, polymer, 33 residues, Formula weight is not available
Natural source: Common Name: Pandinus imperator Taxonomy ID: 55084 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Pandinus imperator
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
Imperatoxin: GDCLPHLKRCKADNDCCGKK
CKRRGTNAEKRCR
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 101 |
| 1H chemical shifts | 236 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | IpTxa | 1 |
Entities:
Entity 1, IpTxa 33 residues - Formula weight is not available
| 1 | GLY | ASP | CYS | LEU | PRO | HIS | LEU | LYS | ARG | CYS | ||||
| 2 | LYS | ALA | ASP | ASN | ASP | CYS | CYS | GLY | LYS | LYS | ||||
| 3 | CYS | LYS | ARG | ARG | GLY | THR | ASN | ALA | GLU | LYS | ||||
| 4 | ARG | CYS | ARG |
Samples:
sample_1: Imperatoxin 4.0 mM
cond_1: pH: 2.6; temperature: 300 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 1H-1H NOESY | not available | not available | not available |
| 1H-1H TOCSY | not available | not available | not available |
| DQF-COSY | not available | not available | not available |
| E-COSY | not available | not available | not available |
| ROESY | not available | not available | not available |
| 1H-13C HSQC | not available | not available | not available |
| 1H-13C HSQCTOCSY | not available | not available | not available |
Software:
FELIX - processing
SPARKY - peak assignment
NMR spectrometers:
- Bruker DMX 500 MHz
- Bruker DMX 600 MHz
- Bruker DMX 750 MHz