BMRB Entry 5006
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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/BMR5006
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
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Citation: Scarselli, Maria; Spiga, Ottavia; Ciutti, Arianna; Bernini, Andrea; Bracci, Luisa; Lelli, Barbara; Lozzi, Luisa; Calamandrei, Duccio; Di Maro, Daniela; Klein, Samuel; Niccolai, Neri. "NMR Structure of Alpha-bungarotoxin free and bound to a Mimotope of the
Nicotinic Acetylcholine Receptor" Biochemistry 41, 1457-1463 (2002).
PubMed: 11814338
Assembly members:
alpha-bungarotoxin, polymer, 74 residues, 7984 Da.
Natural source: Common Name: many-banded krait Taxonomy ID: 8616 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: bungarus multicinctus
Experimental source: Production method: vendor
Entity Sequences (FASTA):
alpha-bungarotoxin: IVCHTTATSPISAVTCPPGE
NLCYRKMWCDAFCSSRGKVV
ELGCAATCPSKKPYEEVTCC
STDKCNPHPKQRPG
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 447 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | alpha-btx | 1 |
Entities:
Entity 1, alpha-btx 74 residues - 7984 Da.
| 1 | ILE | VAL | CYS | HIS | THR | THR | ALA | THR | SER | PRO | ||||
| 2 | ILE | SER | ALA | VAL | THR | CYS | PRO | PRO | GLY | GLU | ||||
| 3 | ASN | LEU | CYS | TYR | ARG | LYS | MET | TRP | CYS | ASP | ||||
| 4 | ALA | PHE | CYS | SER | SER | ARG | GLY | LYS | VAL | VAL | ||||
| 5 | GLU | LEU | GLY | CYS | ALA | ALA | THR | CYS | PRO | SER | ||||
| 6 | LYS | LYS | PRO | TYR | GLU | GLU | VAL | THR | CYS | CYS | ||||
| 7 | SER | THR | ASP | LYS | CYS | ASN | PRO | HIS | PRO | LYS | ||||
| 8 | GLN | ARG | PRO | GLY |
Samples:
sample_1: alpha-bungarotoxin 0.5 mM
Ex-cond_1: pH: 5.67; temperature: 303 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 1H TOCSY | not available | not available | not available |
| 1H NOESY | not available | not available | not available |
Software:
XwinNMR v2.1 - spectra acquisition and processing
NMRView v4.1 - peaks assignment
NMR spectrometers:
- Bruker Avance 600 MHz