BMRB Entry 4966
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR4966
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Title: 1H and 13C Chemical Shift Assignments for Cardiotoxin A3 from Naja Atra at Neutral pH PubMed: 11669614
Deposition date: 2001-03-06 Original release date: 2001-03-09
Authors: Sue, Shih-Che; Jarrell, Harold; Brisson, Jean-Robert; Wu, Wen-guey
Citation: Sue, Shih-Che; Jarrell, Harold; Brisson, Jean-Robert; Wu, Wen-guey. "Dynamic Characterization of the Water binding loop in the P-type Cardiotoxin: Implication for the role of the bound Water Molecule" Biochemistry 40, 12782-12794 (2001).
Assembly members:
Cardiotoxin A3, polymer, 60 residues, 6741 Da.
Natural source: Common Name: Taiwan cobra Taxonomy ID: 8656 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: cobra naja atra
Experimental source: Production method: purified from the natural source
Entity Sequences (FASTA):
Cardiotoxin A3: LKCNKLVPLFYKTCPAGKNL
CYKMFMVATPKVPVKRGCID
VCPKSSLLVKYVCCNTDRCN
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 59 |
| 1H chemical shifts | 432 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | cardiotoxin A3 | 1 |
Entities:
Entity 1, cardiotoxin A3 60 residues - 6741 Da.
| 1 | LEU | LYS | CYS | ASN | LYS | LEU | VAL | PRO | LEU | PHE | |
| 2 | TYR | LYS | THR | CYS | PRO | ALA | GLY | LYS | ASN | LEU | |
| 3 | CYS | TYR | LYS | MET | PHE | MET | VAL | ALA | THR | PRO | |
| 4 | LYS | VAL | PRO | VAL | LYS | ARG | GLY | CYS | ILE | ASP | |
| 5 | VAL | CYS | PRO | LYS | SER | SER | LEU | LEU | VAL | LYS | |
| 6 | TYR | VAL | CYS | CYS | ASN | THR | ASP | ARG | CYS | ASN |
Samples:
sample_1: Cardiotoxin A3 5 mM; phosphate buffer 10 mM
CTX_A3_condition: ionic strength: 0.03 M; pH: 5.96; pressure: 1.013 atm; temperature: 300 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| COSY | not available | not available | not available |
| NOESY | not available | not available | not available |
| TOCSY | not available | not available | not available |
| HSQC | not available | not available | not available |
Software:
XWINNMR v2.01 -
NMR spectrometers:
- BRUKER DRX 600 MHz
- BRUKER DMX 500 MHz