BMRB Entry 6554
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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/BMR6554
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: Tomaselli, S.; Esposito, V.; Vangone, P.; van Nuland, N.; Bonvin, A.; Guerrini, R.; Tancredi, T.; Temussi, P.; Picone, D.. "The alpha-to-beta Conformational Transition of Alzheimer's Abeta-(1-42) Peptide
in Aqueous Media is Reversible: A Step by Step Conformational Analysis Suggests
the Location of beta Conformation Seeding." Chembiochem. 7, 257-267 (2006).
PubMed: 16444756
Assembly members:
Alzheimer's disease amyloid, polymer, 42 residues, Formula weight is not available
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):
Alzheimer's disease amyloid: DAEFRHDSGYEVHHQKLVFF
AEDVGSNKGAIIGLMVGGVV
IA
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 30 |
| 1H chemical shifts | 254 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Alzheimer's disease amyloid | 1 |
Entities:
Entity 1, Alzheimer's disease amyloid 42 residues - Formula weight is not available
| 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: Alzheimer's disease amyloid 2 mM; hexafluoroisopropanol-d2 30%; H2O 70%
sample_cond_1: pressure: 1 atm; temperature: 300 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D TOCSY | not available | not available | not available |
| 2D NOESY | not available | not available | not available |
| 13C-HSQC | not available | not available | not available |
Software:
NMRPipe v1.5 - processing
DYANA v1.5 - refinement, structure solution
XWINNMR v3.0 - collection
nmrview v5.0.4 - data analysis
NMR spectrometers:
- Bruker AVANCE 750 MHz
- Bruker . 600 MHz
- Bruker . 500 MHz
- Bruker . 400 MHz
Related Database Links:
| BMRB | 5400 6257 |
| PDB | |
| DBJ | BAA22264 BAA84580 BAD51938 BAE01907 BAG10647 |
| EMBL | CAA30050 CAA31830 CAA39589 CAA39590 CAA39591 |
| GenBank | AAA35540 AAA36829 AAA51564 AAA51722 AAA51726 |
| PIR | A60045 D60045 E60045 G60045 PQ0438 |
| PRF | 1303338A 1403400A 1405204A 1507304A 1507304B |
| REF | NP_000475 NP_001006601 NP_001013036 NP_001070264 NP_958816 |
| SWISS-PROT | P05067 P53601 P79307 Q28053 Q28280 |