BMRB Entry 26678
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR26678
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Title: Backbone resonance assignments of Abeta(1-42) in aqueous trifluoroethanol PubMed: 26600248
Deposition date: 2015-10-06 Original release date: 2015-12-17
Authors: Willbold, Dieter; Dammers, Christina; Schwarten, Melanie; Lecher, Justin; Stoldt, Matthias; Reiss, Kerstin
Citation: Dammers, Christina; Reiss, Kerstin; Gremer, Lothar; Lecher, Justin; Ziehm, Tamar; Stoldt, Matthias; Schwarten, Melanie; Willbold, Dieter. "Structural Analysis and Aggregation Propensity of Pyroglutamate Abeta(3-40) in Aqueous Trifluoroethanol" PLoS One 10, e0143647-e0143647 (2015).
Assembly members:
Abeta(1-42), polymer, 42 residues, 4514.0824 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):
Abeta(1-42): DAEFRHDSGYEVHHQKLVFF
AEDVGSNKGAIIGLMVGGVV
IA
- assigned_chemical_shifts
Data type | Count |
13C chemical shifts | 83 |
15N chemical shifts | 41 |
1H chemical shifts | 41 |
Additional metadata:
Assembly:
Entity Assembly ID | Entity Name | Entity ID |
---|---|---|
1 | Abeta(1-42) | 1 |
Entities:
Entity 1, Abeta(1-42) 42 residues - 4514.0824 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: Ab1-42, [U-13C; U-15N], 0.1 mM; TFE, [U-2H], 40%; potassium phosphate 50 mM
aqueous_trifluoroethanol: ionic strength: 0.050 M; pH: 2.800; pressure: 1.000 atm; temperature: 293.150 K
Experiments:
Name | Sample | Sample state | Sample conditions |
---|---|---|---|
2D 1H-15N HSQC/HMQC | sample_1 | isotropic | aqueous_trifluoroethanol |
3D HNCA | sample_1 | isotropic | aqueous_trifluoroethanol |
3D HNCO | sample_1 | isotropic | aqueous_trifluoroethanol |
Software:
CcpNmr_Analysis v2.4, CCPN - chemical shift assignment
NMR spectrometers:
- Bruker Avance 600 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts