BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 26307

Title: Sensitivity-Enhanced Solid-state NMR Detection of Structural Differences and Unique Polymorphs in Pico- to Nanomolar Amounts of Brain-derived and Synthetic 42-residue Amyloid-b Fibrils.   PubMed: 34308630

Deposition date: 2021-05-19 Original release date: 2022-05-12

Authors: Wickramasinghe, Ayesha; Xiao, Yiling; Kobayashi, Naohiro; Wang, Songlin; Scherpelz, Kathryn; Yamazaki, Toshio; Meredith, Stephen; Ishii, Yoshitaka

Citation: Wickramasinghe, Ayesha; Xiao, Yiling; Kobayashi, Naohiro; Wang, Songlin; Scherpelz, Kathryn; Yamazaki, Toshio; Meredith, Stephen; Ishii, Yoshitaka. "Sensitivity-Enhanced Solid-State NMR Detection of Structural Differences and Unique Polymorphs in Pico- to Nanomolar Amounts of Brain-Derived and Synthetic 42-Residue Amyloid-beta Fibrils"  J. Am. Chem. Soc. 143, 11462-11472 (2021).

Assembly members:
Synthetic 42-residue Amyloid-b, 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: recombinant technology   Host organism: Escherichia coli   Vector: pGEX-2T-Ab(1-40)

Entity Sequences (FASTA):
Synthetic 42-residue Amyloid-b: DAEFRHDSGYEVHHQKLVFF AEDVGSNKGAIIGLMVGGVV IA

Data sets:
Data typeCount
13C chemical shifts148
15N chemical shifts32
1H chemical shifts176

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1AB421

Entities:

Entity 1, AB42 42 residues - Formula weight is not available

1   ASPALAGLUPHEARGHISASPSERGLYTYR
2   GLUVALHISHISGLNLYSLEUVALPHEPHE
3   ALAGLUASPVALGLYSERASNLYSGLYALA
4   ILEILEGLYLEUMETVALGLYGLYVALVAL
5   ILEALA

Samples:

sample_1: AB42_Fibril, [U-100% 13C; U-100% 15N], 200 ug; Cu-EDTA 20%

sample_conditions_1: pH: 7.4; pressure: 1 atm; temperature: 303 K

Experiments:

NameSampleSample stateSample conditions
3D (H)CCHsample_1anisotropicsample_conditions_1
3D (H)CA(CON)CAHsample_1anisotropicsample_conditions_1
3D (H)CANHsample_1anisotropicsample_conditions_1
3D (H)CA(CO)NHsample_1anisotropicsample_conditions_1
4D (H)CACONHsample_1anisotropicsample_conditions_1
3D (H)CX(CA)NHsample_1anisotropicsample_conditions_1
2D (H)CCsample_1anisotropicsample_conditions_1

Software:

TOPSPIN v3.5 - collection

NMRPipe v2017 - processing

MagRO v3.0.38 - chemical shift assignment, peak picking

NMRFAM-SPARKY - chemical shift assignment

TALOS-N - data analysis

NMR spectrometers:

  • Bruker AVANCE III 800 MHz

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts