BMRB Entry 5025
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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/BMR5025
MolProbity Validation Chart
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NMR-STAR v3 text file.
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Citation: Zeng, Haoyu; Moise, Leonard; Grant, Marianne; Hawrot, Edward. "The Solution Structure of the Complex Formed between alpha-Bungarotoxin and an
18mer Cognate Peptide Derived from the alpha1 Subunit of the Nicotinic
Acetylcholine Receptor from Torpedo californica" J. Biol. Chem. 276, 22930-22940 (2001).
PubMed: 11312275
Assembly members:
alpha-neurotoxin, polymer, 74 residues, 7977 Da.
18mer, polymer, 19 residues, 2338 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-neurotoxin: IVCHTTATSPISAVTCPPGE
NLCYRKMWCDAFCSSRGKVV
ELGCAATCPSKKPYEEVTCC
STDKCNPHPKQRPG
18mer: YRGWKHWVYYTCCPDTPYX
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 355 |
| 15N chemical shifts | 15 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | ALPHA-BUNGAROTOXIN | 1 |
| 2 | 18mer | 2 |
Entities:
Entity 1, ALPHA-BUNGAROTOXIN 74 residues - 7977 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, 18mer 19 residues - 2338 Da.
| 1 | TYR | ARG | GLY | TRP | LYS | HIS | TRP | VAL | TYR | TYR | ||||
| 2 | THR | CYS | CYS | PRO | ASP | THR | PRO | TYR | HSL |
Samples:
sample_1: alpha-neurotoxin 2.1 mM; 18mer, [U-99% 15N], 2.1 mM; potassium acetate buffer, [U-2H], 50 mM; H2O 95%; D2O 5%; sodium azide 0.05%
sample_cond_1: pH: 4.0; temperature: 308 K; ionic strength: 29 mM; pressure: 1 atm
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 3D 15N-separated TOCSY | sample_1 | not available | sample_cond_1 |
| 3D HNHA | sample_1 | not available | sample_cond_1 |
| 3D 15N-separated NOESY | sample_1 | not available | sample_cond_1 |
| 2D TOCSY | sample_1 | not available | sample_cond_1 |
| 2D NOESY | sample_1 | not available | sample_cond_1 |
| 2D 1H-15N HSQC | sample_1 | not available | sample_cond_1 |
Software:
XWINNMR v2.1 - collection
NMRPipe v1.8 - processing
Sparky v3.95 - data analysis
CNSsolve v1.0 - refinement
NMR spectrometers:
- Bruker AVANCE 600 MHz