BMRB Entry 51993

Name: Backbone 13C and 15N Chemical Shift Assignments for Fibrils of Pyroglutamate Amyloid beta (3-42) at pH 2
Published: 2023-07-10

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51993

NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry

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

Select model:

I am color blind

Download raw data. Direct link to this display. Help

Title:

Backbone 13C and 15N Chemical Shift Assignments for Fibrils of Pyroglutamate Amyloid beta (3-42) at pH 2

Deposition date:

2023-06-08

Original release date:

2023-07-10

Authors:

Gardon, Luis; Becker, Nina; Gremer, Lothar; Heise, Henrike

Citation:

Citation: Gardon, Luis; Becker, Nina; Gremer, Lothar; Heise, Henrike. "Structural Impact of N-terminal Pyroglutamate in an Amyloid-b(3-42) Fibril Probed by Solid-State NMR Spectroscopy" Chemistry 30, e202303007-e202303007 (2024).
PubMed: 38100216

Assembly members:

Assembly members:
entity_1, polymer, 40 residues, 4180.8 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: recombinant technology Host organism: Escherichia coli Vector: pET302/NT-His

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: XFRHDSGYEVHHQKLVFFAE DVGSNKGAIIGLMVGGVVIA

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	148
15N chemical shifts	40

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
Hide all

Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	pEAbeta (3-42)	1

Entities:

Entity 1, pEAbeta (3-42) 40 residues - 4180.8 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	ILE	ALA

Samples:

sample_1: Pyroglutamate Amyloid beta (3-42), [U-100% 13C; U-100% 15N], 1.5 mM; acetonitrile 30 % v/v; trifluoroacetic acid 0.1 % v/v; H2O 70 % v/v

sample_conditions_1: pH: 2; pressure: 1 atm; temperature: 263 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D NCACX	sample_1	isotropic	sample_conditions_1
2D NCOCX	sample_1	isotropic	sample_conditions_1
3D NCACX	sample_1	isotropic	sample_conditions_1
3D NCOCX	sample_1	isotropic	sample_conditions_1
2D 13C/13C PDSD	sample_1	isotropic	sample_conditions_1

Software:

CcpNMR v2.4.2 - chemical shift assignment

TOPSPIN v4.0.1; 3.5 - collection, processing

NMR spectrometers:

Bruker AVANCE NEO 600 MHz
Bruker AVANCE III 800 MHz

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	ILE	ALA

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	ILE	ALA