BMRB Entry 5988
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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/BMR5988
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry
Citation: Bernini, Andrea; Ciutti, Arianna; Spiga, Ottavia; Scarselli, Maria; Klein, S.; Vannetti, S.; Bracci, Luisa; Lozzi, Luisa; Lelli, Barbara; Falciani, Chiara; Neri, Paolo; Niccolai, Neri. "NMR and MD studies on the interaction between ligand peptides and alpha-bungarotoxin" J. Mol. Biol. 339, 1169-1177 (2004).
PubMed: 15178256
Assembly members:
alpha-bungarotoxin, polymer, 74 residues, 7994 Da.
mimotope of the nicotinic acetylcholine receptor, polymer, 13 residues, 1707 Da.
Natural source: Common Name: cobra Taxonomy ID: 8616 Superkingdom: Eubacteria Kingdom: Metazoa Genus/species: Bungarus multicinctus
Experimental source: Production method: vendor
Entity Sequences (FASTA):
alpha-bungarotoxin: IVCHTTATSPISAVTCPPGE
NLCYRKMWCDAFCSSRGKVV
ELGCAATCPSKKPYEEVTCC
STDKCNPHPKQRPG
mimotope of the nicotinic acetylcholine receptor: FRYYESSLEPWDD
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 544 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | alpha-bungarotoxin | 1 |
| 2 | pDD receptor | 2 |
Entities:
Entity 1, alpha-bungarotoxin 74 residues - 7994 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 |
Entity 2, pDD receptor 13 residues - 1707 Da.
| 1 | PHE | ARG | TYR | TYR | GLU | SER | SER | LEU | GLU | PRO | ||||
| 2 | TRP | ASP | ASP |
Samples:
sample_1: alpha-bungarotoxin 0.5 mM; mimotope of the nicotinic acetylcholine receptor 0.5 mM
Ex-cond: pH: 5.7; 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 - data collection, data processing
NMR spectrometers:
- Bruker Advance 600 MHz