BMRB Entry 5097
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR5097
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Title: 1H Chemical Shift Assignments for Bucandin
Deposition date: 2001-08-03 Original release date: 2001-12-12
Authors: Torres, A.; Kini, R.; Selvanayagam, N.; Kuchel, P.
Citation: Torres, A.; Kini, R.; Selvanayagam, N.; Kuchel, P.. "NMR structure of bucandin, a neurotoxin from the venom of the Malayan krait (Bungarus candidus)" Biochem. J. 360, 539-548 (2001).
Assembly members:
bucandin, polymer, 63 residues, 7275.43 Da.
Natural source: Common Name: Bungarus candidus Taxonomy ID: 92438 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Bungarus candidus
Experimental source: Production method: vendor
Entity Sequences (FASTA):
bucandin: MECYRCGVSGCHLKITCSAE
ETFCYKWLNKISNERWLGCA
KTCTEIDTWNVYNKCCTTNL
CNT
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 412 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | bucandin | 1 |
Entities:
Entity 1, bucandin 63 residues - 7275.43 Da.
| 1 | MET | GLU | CYS | TYR | ARG | CYS | GLY | VAL | SER | GLY | ||||
| 2 | CYS | HIS | LEU | LYS | ILE | THR | CYS | SER | ALA | GLU | ||||
| 3 | GLU | THR | PHE | CYS | TYR | LYS | TRP | LEU | ASN | LYS | ||||
| 4 | ILE | SER | ASN | GLU | ARG | TRP | LEU | GLY | CYS | ALA | ||||
| 5 | LYS | THR | CYS | THR | GLU | ILE | ASP | THR | TRP | ASN | ||||
| 6 | VAL | TYR | ASN | LYS | CYS | CYS | THR | THR | ASN | LEU | ||||
| 7 | CYS | ASN | THR |
Samples:
sample_1: bucandin 1.7 mM
sample_cond_1: pH: 3.0; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D NOESY | not available | not available | not available |
| 2D TOCSY | not available | not available | not available |
| 2D DQF-COSY | not available | not available | not available |
| 2D ECOSY | not available | not available | not available |
Software:
xwinnmr v2.6 - processing
XEASY v1.3.13 - data analysis
INFIT - data analysis
NOAH - structure solution
DYANA v1.5 - structure solution
X-PLOR v3.843 - structure solution
NMR spectrometers:
- Bruker AVANCE 600 MHz