BMRB Entry 52338

Name: 13C and 15N Chemical Shift Assignment for Abeta 40 amyloid fibrils polymorph 2 (P2)
Published: 2024-07-08

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR52338

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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: 13C and 15N Chemical Shift Assignment for Abeta 40 amyloid fibrils polymorph 2 (P2) PubMed: 38973199

Deposition date: 2024-02-21 Original release date: 2024-07-08

Authors: Rodina, Natalia; Hornung, Simon; Sarkar, Riddhiman; Suladze, Saba; Peters, Carsten; Schmid, Philipp; Niu, Zheng; Haslbeck, Martin; Buchner, Johannes; Kapurniotu, Aphrodite; Reif, Bernd

Citation: Rodina, Natalia; Hornung, Simon; Sarkar, Riddhiman; Suladze, Saba; Peters, Carsten; Schmid, Philipp; Niu, Zheng; Haslbeck, Martin; Buchner, Johannes; Kapurniotu, Aphrodite; Reif, Bernd. "Modulation of Alzheimer's Disease Ab40 Fibril Polymorphism by the Small Heat Shock Protein alpha-B-Crystallin" J, Am, Chem, Soc, 146, 19077-19087 (2024).

Assembly members:
entity_1, polymer, 40 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: pET-28(+)

Entity Sequences (FASTA):
entity_1: DAEFRHDSGYEVHHQKLVFF AEDVGSNKGAIIGLMVGGVV

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	104
15N chemical shifts	25

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Abeta 40 amyloid fibrils	1

Entities:

Entity 1, Abeta 40 amyloid fibrils 40 residues - Formula weight is not available

1	ASP	ALA	GLU	PHE	ARG	HIS	ASP	SER	GLY	TYR
2	GLU	VAL	HIS	HIS	GLN	LYS	LEU	VAL	PHE	PHE
3	ALA	GLU	ASP	VAL	GLY	SER	ASN	LYS	GLY	ALA
4	ILE	ILE	GLY	LEU	MET	VAL	GLY	GLY	VAL	VAL

Samples:

sample_1: Abeta 40 peptide, [U-100% 13C; U-100% 15N], 50 uM; phosphate buffer 50 mM; NaCl 50 mM; NaN3 0.1%

sample_conditions_1: pH: 7.4; temperature: 283.15 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D DARR	sample_1	isotropic	sample_conditions_1
2D PDSD	sample_1	isotropic	sample_conditions_1
2D NCA	sample_1	isotropic	sample_conditions_1
3D NCACX	sample_1	isotropic	sample_conditions_1
3D NCOCX	sample_1	isotropic	sample_conditions_1

Software:

CcpNMR v2.4.2 & 3.1.0 - chemical shift assignment

NMR spectrometers:

Bruker AVANCE III 750 MHz

1	ASP	ALA	GLU	PHE	ARG	HIS	ASP	SER	GLY	TYR
2	GLU	VAL	HIS	HIS	GLN	LYS	LEU	VAL	PHE	PHE
3	ALA	GLU	ASP	VAL	GLY	SER	ASN	LYS	GLY	ALA
4	ILE	ILE	GLY	LEU	MET	VAL	GLY	GLY	VAL	VAL

1	ASP	ALA	GLU	PHE	ARG	HIS	ASP	SER	GLY	TYR
2	GLU	VAL	HIS	HIS	GLN	LYS	LEU	VAL	PHE	PHE
3	ALA	GLU	ASP	VAL	GLY	SER	ASN	LYS	GLY	ALA
4	ILE	ILE	GLY	LEU	MET	VAL	GLY	GLY	VAL	VAL

1	ASP	ALA	GLU	PHE	ARG	HIS	ASP	SER	GLY	TYR
2	GLU	VAL	HIS	HIS	GLN	LYS	LEU	VAL	PHE	PHE
3	ALA	GLU	ASP	VAL	GLY	SER	ASN	LYS	GLY	ALA
4	ILE	ILE	GLY	LEU	MET	VAL	GLY	GLY	VAL	VAL