BMRB Entry 5652
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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/BMR5652
MolProbity Validation Chart
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NMR-STAR v3 text file.
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Citation: Torres, Allan; Bansal, Paramjit; Alewood, Paul; Bursill, Jane; Kuchel, Philip; Vandenberg, Jamie. "Solution Structure of CnErg1 (Ergtoxin), a HERG Specific Scorpion Toxin" FEBS Lett. 539, 138-142 (2003).
Assembly members:
Ergtoxin, polymer, 42 residues, Formula weight is not available
Natural source: Common Name: Mexican scorpion Taxonomy ID: 6878 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Centruroides noxius
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
Ergtoxin: DRDSCVDKSRCAKYGYYQEC
QDCCKNAGHNGGTCMFFKCK
CA
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 233 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | CnErg1 | 1 |
Entities:
Entity 1, CnErg1 42 residues - Formula weight is not available
| 1 | ASP | ARG | ASP | SER | CYS | VAL | ASP | LYS | SER | ARG | ||||
| 2 | CYS | ALA | LYS | TYR | GLY | TYR | TYR | GLN | GLU | CYS | ||||
| 3 | GLN | ASP | CYS | CYS | LYS | ASN | ALA | GLY | HIS | ASN | ||||
| 4 | GLY | GLY | THR | CYS | MET | PHE | PHE | LYS | CYS | LYS | ||||
| 5 | CYS | ALA |
Samples:
sample_1: Ergtoxin 1.7 mM
Ex-cond_1: pH: 3.2; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| NOESY | sample_1 | not available | Ex-cond_1 |
| TOCSY | sample_1 | not available | Ex-cond_1 |
Software:
XEASY v1.3.13 -
DYANA v1.5 -
CNS v1.1 -
NMR spectrometers:
- Bruker AVANCE_DRX 600 MHz