BMRB Entry 4948
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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/BMR4948
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: Scarselli, M.; Spiga, O.; Ciutti, A.; Bernini, A.; Bracci, L.; Lelli, B.; Lozzi, L.; Calamandrei, D.; Di Maro, D.; Klein, S.; Niccolai, N.. "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:
A-BUNGAROTOXIN, polymer, 74 residues, 8000 Da.
MIMOTOPE OF THE NICOTINIC ACETILCHOLINE RECEPTOR, polymer, 14 residues, Formula weight is not available
Natural source: Common Name: many-banded krait Taxonomy ID: 8616 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Bungarus multicinctus
Experimental source: Production method: purified from the natural source
Entity Sequences (FASTA):
A-BUNGAROTOXIN: IVCHTTATSPISAVTCPPGE
NLCYRKMWCDAFCSSRGKVV
ELGCAATCPSKKPYEEVTCC
STDKCNPHPKQRPG
MIMOTOPE OF THE NICOTINIC ACETILCHOLINE RECEPTOR: HRYYESSLEPWYPD
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 525 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | A BUNGAROTOXIN | 1 |
| 2 | MIMOTOPE OF THE NICOTINIC ACETILCHOLINE RECEPTOR | 2 |
Entities:
Entity 1, A BUNGAROTOXIN 74 residues - 8000 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, MIMOTOPE OF THE NICOTINIC ACETILCHOLINE RECEPTOR 14 residues - Formula weight is not available
| 1 | HIS | ARG | TYR | TYR | GLU | SER | SER | LEU | GLU | PRO | ||||
| 2 | TRP | TYR | PRO | ASP |
Samples:
sample_1: A-BUNGAROTOXIN 0.5 mM; MIMOTOPE OF THE NICOTINIC ACETILCHOLINE RECEPTOR 0.5 mM; H2O 90%; D2O 10%
sample_cond_1: pH: 5.67; temperature: 303 K; pressure: 1 atm
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D NOESY | sample_1 | not available | sample_cond_1 |
Software:
XWINNMR v2.1 - data collection, data processing
NMRView v4.1.1 - data analysis
DYANA v1.5 - structure solution
AMBER v4.1 - refinement
NMR spectrometers:
- Bruker DRX 600 MHz