BMRB Entry 30731
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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/BMR30731
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: Ghosh, U.; Thurber, K.; Yau, W.; Tycko, R.. "Molecular structure of a prevalent amyloid-beta fibril polymorph from Alzheimer's disease brain tissue" Proc. Natl. Acad. Sci. U.S.A. 118, e2023089118-e2023089118 (2021).
PubMed: 33431654
Assembly members:
entity_1, polymer, 40 residues, 4335.852 Da.
Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
entity_1: DAEFRHDSGYEVHHQKLVFF
AEDVGSNKGAIIGLMVGGVV
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 78 |
| 15N chemical shifts | 20 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1, 1 | 1 |
| 2 | entity_1, 2 | 1 |
| 3 | entity_1, 3 | 1 |
| 4 | entity_1, 4 | 1 |
| 5 | entity_1, 5 | 1 |
| 6 | entity_1, 6 | 1 |
Entities:
Entity 1, entity_1, 1 40 residues - 4335.852 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 |
Samples:
sample_1: amyloid-beta(1-40), [U-15N; U-13C], 100 uM
sample_conditions_1: ionic strength: 10 mM; pH: 7.4; pressure: 1 atm; temperature: 297 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 3D NCACX | sample_1 | anisotropic | sample_conditions_1 |
| 3D NCOCX | sample_1 | anisotropic | sample_conditions_1 |
| 3D CANCX | sample_1 | anisotropic | sample_conditions_1 |
| 3D CONCX | sample_1 | anisotropic | sample_conditions_1 |
| 2D 13C-13C | sample_1 | anisotropic | sample_conditions_1 |
Software:
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
Sparky, Goddard - chemical shift assignment
X-PLOR NIH v2.53, Schwieters, Kuszewski, Tjandra and Clore - refinement
NMR spectrometers:
- Varian InfinityPlus 600 MHz