BMRB Entry 26307

Name: 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.
Published: 2022-05-12

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR26307

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Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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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.

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:

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).
PubMed: 34308630

Assembly members:

Assembly members:
Synthetic 42-residue Amyloid-b, polymer, 42 residues, Formula weight is not available

Natural source:

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

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pGEX-2T-Ab(1-40)

Entity Sequences (FASTA):

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

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	148
15N chemical shifts	32
1H chemical shifts	176

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	AB42	1

Entities:

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

1

ASP

ALA

GLU

PHE

ARG

HIS

ASP

SER

GLY

TYR

2

GLU

VAL

HIS

GLN

LYS

LEU

VAL

PHE

3

ALA

GLU

ASP

VAL

GLY

SER

ASN

LYS

GLY

ALA

4

ILE

GLY

LEU

MET

VAL

GLY

VAL

5

ILE

ALA

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:

Name	Sample	Sample state	Sample conditions
3D (H)CCH	sample_1	anisotropic	sample_conditions_1
3D (H)CA(CON)CAH	sample_1	anisotropic	sample_conditions_1
3D (H)CANH	sample_1	anisotropic	sample_conditions_1
3D (H)CA(CO)NH	sample_1	anisotropic	sample_conditions_1
4D (H)CACONH	sample_1	anisotropic	sample_conditions_1
3D (H)CX(CA)NH	sample_1	anisotropic	sample_conditions_1
2D (H)CC	sample_1	anisotropic	sample_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 peaks
SPARKY: Backbone or all simulated peaks