BMRB Entry 4418
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR4418
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
NMR-STAR v2.1 text file (deprecated)
XML gzip file.
RDF gzip file.
All files associated with the entry
Title: NMR structure with tightly bound water molecules of cytotoxin II (cardiotoxin) from Naja naja oxiana in aqueous solution (minor form)
Deposition date: 1999-09-23 Original release date: 1999-11-24
Authors: Dementieva, D.; Bocharov, E.; Arseniev, A.
Citation: Dementieva, D.; Bocharov, E.; Arseniev, A.. "Two forms of cytotoxin II (cardiotoxin) from Naja naja oxiana in aqueous solution. Spatial structures with tightly bound water molecules" Eur. J. Biochem. 263, 152-162 (1999).
Assembly members:
cytotoxin 2, polymer, 60 residues, 6620 Da.
Natural source: Common Name: Central Asian cobra Taxonomy ID: 8657 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Naja oxiana
Experimental source: Production method: natural source
Entity Sequences (FASTA):
cytotoxin 2: LKCKKLVPLFSKTCPAGKNL
CYKMFMVAAPHVPVKRGCID
VCPKSSLLVKYVCCNTDKCN
- assigned_chemical_shifts
- coupling_constants
| Data type | Count |
| 1H chemical shifts | 443 |
| coupling constants | 52 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | CTII | 1 |
Entities:
Entity 1, CTII 60 residues - 6620 Da.
| 1 | LEU | LYS | CYS | LYS | LYS | LEU | VAL | PRO | LEU | PHE | |
| 2 | SER | LYS | THR | CYS | PRO | ALA | GLY | LYS | ASN | LEU | |
| 3 | CYS | TYR | LYS | MET | PHE | MET | VAL | ALA | ALA | PRO | |
| 4 | HIS | 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 | LYS | CYS | ASN |
Samples:
sample_1: cytotoxin 2 5.0 mM
sample_cond_1: pH: 5.5; temperature: 303 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| DQF-COSY | sample_1 | not available | sample_cond_1 |
| TOCSY | sample_1 | not available | sample_cond_1 |
| NOESY | sample_1 | not available | sample_cond_1 |
| ROESY | sample_1 | not available | sample_cond_1 |
Software:
XEASY v1.2.11 - peak assignments
DYANA v1.4 - structure calculation
FANTOM v4 - energy minimization
MOLMOL v2.5.1 - visualization and structure analysis
NMR spectrometers:
- Varian Unity 600 MHz