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
MolProbity Validation Chart

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Title:
Zinc bound dimer of the fragment of human amyloid-beta peptide with Alzheimer's disease pathogenic Taiwanese mutation D7H
Deposition date:
2016-07-05
Original release date:
2017-08-18
Authors:
Polshakov, V.; Mantsyzov, A.; Kozin, S.
Citation:

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).
PubMed: 28570778

Assembly members:

Assembly members:
entity_1, polymer, 11 residues, 1219.267 Da.
entity_ZN, non-polymer, 65.409 Da.

Natural source:

Natural source:   Common Name: Human   Taxonomy ID: 9606   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Homo sapiens

Experimental source:

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: DAEFRHHSGYX

Data sets:
Data typeCount
13C chemical shifts35
15N chemical shifts8
1H chemical shifts60

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_1, 11
2entity_1, 21
3ZINC ION, 12
4ZINC ION, 22

Entities:

Entity 1, entity_1, 1 11 residues - 1219.267 Da.

1   ASPALAGLUPHEARGHISHISSERGLYTYR
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:

NameSampleSample stateSample conditions
2D DQF-COSYsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aliphaticsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aromaticsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aliphaticsample_2isotropicsample_conditions_1
2D 1H-1H ROESYsample_2isotropicsample_conditions_1
2D DQF-COSYsample_2isotropicsample_conditions_1
2D DOSYsample_2isotropicsample_conditions_1
2D 1H-1H NOESYsample_2isotropicsample_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 HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks