BMRB Entry 34019
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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/BMR34019
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Title: Zinc bound dimer of the fragment of human amyloid-beta peptide with Alzheimer's disease pathogenic Taiwanese mutation D7H PubMed: 28570778
Deposition date: 2016-07-05 Original release date: 2017-08-18
Authors: Polshakov, V.; Mantsyzov, A.; Kozin, S.
Citation: Polshakov, Vladimir; Mantsyzov, Alexey; Kozin, Sergey; Adzhubei, Alexei; Zhokhov, Sergey; van Beek, Wouter; Kulikova, Alexandra; Indeykina, Maria; Mitkevich, Vladimir; Makarov, Alexander. "A Binuclear Zinc Interaction Fold Discovered in the Homodimer of Alzheimer's Amyloid-beta Fragment with Taiwanese Mutation D7H" Angew. Chem. Int. Ed. Engl. 56, 11734-11739 (2017).
Assembly members:
entity_1, polymer, 11 residues, 1219.267 Da.
entity_ZN, non-polymer, 65.409 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: DAEFRHHSGYX
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 35 |
| 15N chemical shifts | 8 |
| 1H chemical shifts | 60 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1, 1 | 1 |
| 2 | entity_1, 2 | 1 |
| 3 | ZINC ION, 1 | 2 |
| 4 | ZINC ION, 2 | 2 |
Entities:
Entity 1, entity_1, 1 11 residues - 1219.267 Da.
| 1 | ASP | ALA | GLU | PHE | ARG | HIS | HIS | SER | GLY | TYR | ||||
| 2 | NH2 |
Entity 2, ZINC ION, 1 - Zn - 65.409 Da.
| 1 | ZN |
Samples:
sample_1: D7H_Abeta(1-10) 1.4 mM; ZnCl2 2.8 mM; bis-Tris-d19, [U-99% 2D], 10 mM
sample_2: D7H_Abeta(1-10) 1.4 mM; ZnCl2 2.8 mM; bis-Tris-d19, [U-99% 2D], 10 mM
sample_conditions_1: ionic strength: 3 mM; pH: 7.0; pressure: 1 atm; temperature: 278 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D DQF-COSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aliphatic | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aromatic | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aliphatic | sample_2 | isotropic | sample_conditions_1 |
| 2D 1H-1H ROESY | sample_2 | isotropic | sample_conditions_1 |
| 2D DQF-COSY | sample_2 | isotropic | sample_conditions_1 |
| 2D DOSY | sample_2 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_2 | isotropic | sample_conditions_1 |
Software:
CNS, Brunger, Adams, Clore, Gros, Nilges and Read - structure calculation
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
ProcheckNMR, Laskowski and MacArthur - data analysis
SPARKY, Goddard - data analysis
TOPSPIN, Bruker Biospin - collection
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