BMRB Entry 18052
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR18052
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Title: Structural analysis of the pyroglutamate modified isoform of the Alzheimer's disease related beta-amyloid using NMR spectroscopy PubMed: 23001756
Deposition date: 2011-11-11 Original release date: 2012-10-29
Authors: Sun, Na; Hartmann, Rudolf; Lecher, Justin; Stoldt, Matthias; Willbold, Dieter
Citation: Sun, Na; Hartmann, Rudolf; Lecher, Justin; Stoldt, Matthias; Funke, Susanne Aileen; Gremer, Lothar; Ludwig, Hans-Henning; Demuth, Hans-Ulrich; Kleinschmi, Martin; Willbold, Dieter. "Structural analysis of the pyroglutamate modified isoform of the Alzheimer's disease related beta-amyloid using NMR spectroscopy" J. Pept. Sci. 18, 691-695 (2012).
Assembly members:
Pyroglutamate_Abeta, polymer, 38 residues, 4125.6626 Da.
Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens
Experimental source: Production method: chemical synthesis Host organism: Synthetic
Entity Sequences (FASTA):
Pyroglutamate_Abeta: XFRHDSGYEVHHQKLVFFAE
DVGSNKGAIIGLMVGGVV
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 217 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | PyroAb | 1 |
Entities:
Entity 1, PyroAb 38 residues - 4125.6626 Da.
| 1 | PCA | PHE | ARG | HIS | ASP | SER | GLY | TYR | GLU | VAL | ||||
| 2 | HIS | HIS | GLN | LYS | LEU | VAL | PHE | PHE | ALA | GLU | ||||
| 3 | ASP | VAL | GLY | SER | ASN | LYS | GLY | ALA | ILE | ILE | ||||
| 4 | GLY | LEU | MET | VAL | GLY | GLY | VAL | VAL |
Samples:
1: Pyroglutamate Abeta 0.1 mM; Trifluoroethanol 40%; H2O 60%
Standard: ionic strength: 0.050 M; pH: 2.800; pressure: 1.000 atm; temperature: 298.000 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H TOCSY | 1 | isotropic | Standard |
| 2D 1H-1H NOESY | 1 | isotropic | Standard |
Software:
ANALYSIS v2.1, CCPN - assignment
NMRPipe v5.99.2011.242.16.23, NIH - conversion, processing
VnmrJ v2.3A, Agilent Technologies (formerly Varian) - data recording, spectrometer operation
NMR spectrometers:
- Varian VNMRS 900 MHz
Related Database Links:
| BMRB | 11435 15775 17159 17186 17764 17793 17794 17795 17796 18127 18128 18129 18131 19009 19309 19393 25218 25289 25429 26508 26516 |
| PDB | |
| DBJ | BAA22264 BAA84580 BAB71958 BAD51938 BAE01907 |
| EMBL | CAA30050 CAA31830 CAA39589 CAA39590 CAA39591 |
| GB | 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_001127014 |
| SP | P05067 P53601 P79307 P86906 Q28053 |
| TPG | DAA33655 |