BMRB Entry 34440
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR34440
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Title: Solution structure of the amyloid beta-peptide (1-42)
Deposition date: 2019-10-02 Original release date: 2020-10-09
Authors: Grimaldi, M.; Santoro, A.; Stillitano, I.; Buonocore, M.; D'Ursi, A.
Citation: Grimaldi, M.; Santoro, A.; Stillitano, I.; Buonocore, M.; D'Ursi, A.. "NMR structure of amyloid beta (1-42) peptide" . ., .-..
Assembly members:
entity_1, polymer, 42 residues, 4520.087 Da.
Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
entity_1: DAEFRHDSGYEVHHQKLVFF
AEDVGSNKGAIIGLMVGGVV
IA
- assigned_chemical_shifts
- spectral_peak_list
| Data type | Count |
| 1H chemical shifts | 280 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 42 residues - 4520.087 Da.
| 1 | ASP | ALA | GLU | PHE | ARG | HIS | ASP | SER | GLY | TYR | ||||
| 2 | GLU | VAL | HIS | HIS | GLN | LYS | LEU | VAL | PHE | PHE | ||||
| 3 | ALA | GLU | ASP | VAL | GLY | SER | ASN | LYS | GLY | ALA | ||||
| 4 | ILE | ILE | GLY | LEU | MET | VAL | GLY | GLY | VAL | VAL | ||||
| 5 | ILE | ALA |
Samples:
sample_1: Amyloid beta-peptide (1-42) 0.5 mM
sample_conditions_1: ionic strength: 0 Not defined; pH: 5.4; pressure: 1 atm; temperature: 300 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
Software:
CYANA v2.1, Guntert P., Guntert, Mumenthaler and Wuthrich - refinement, structure calculation
Sparky, Goddard - chemical shift assignment, peak picking
NMR spectrometers:
- Bruker AVANCE 600 MHz