BMRB Entry 19009

Name: 40-residue beta-amyloid fibril derived from Alzheimer&#039;s disease brain
Published: 2013-09-23

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PDB ID: 2m4j
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR19009
MolProbity Validation Chart

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Nicholas Rego and David Koes
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

40-residue beta-amyloid fibril derived from Alzheimer's disease brain

Deposition date:

2013-02-05

Original release date:

2013-09-23

Authors:

Lu, Jun-Xia; Qiang, Wei; Meredith, Stephen; Yau, Wai-Ming; Schweiters, Charles; Tycko, Robert

Citation:

Citation: Lu, Jun-Xia; Qiang, Wei; Yau, Wai-Ming; Schweiters, Charles; Meredith, Stephen; Tycko, Robert. "Molecular Structure of beta-Amyloid Fibrils in Alzheimer's Disease Brain Tissue" Cell 154, 1257-1268 (2013).
PubMed: 24034249

Assembly members:

Assembly members:
beta-amyloid_peptide, polymer, 40 residues, 4335.893 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):
beta-amyloid_peptide: DAEFRHDSGYEVHHQKLVFF AEDVGSNKGAIIGLMVGGVV

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	175
15N chemical shifts	41

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	beta-amyloid_peptide_1	1
2	beta-amyloid_peptide_2	1
3	beta-amyloid_peptide_3	1
4	beta-amyloid_peptide_4	1
5	beta-amyloid_peptide_5	1
6	beta-amyloid_peptide_6	1
7	beta-amyloid_peptide_7	1
8	beta-amyloid_peptide_8	1
9	beta-amyloid_peptide_9	1

Entities:

Entity 1, beta-amyloid_peptide_1 40 residues - 4335.893 Da.

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: beta-amyloid peptide, selectively and uniformly labeled samples, 1 – 2 mg

sample_conditions_1: ionic strength: 10 mM; pH: 7.4; pressure: 1 atm; temperature: 273 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 13C-13C with fpRFDR	sample_1	solid	sample_conditions_1
2D and 3D NCACX	sample_1	solid	sample_conditions_1
2D NCOCX	sample_1	solid	sample_conditions_1
3D NCOCX	sample_1	solid	sample_conditions_1
2D NCACX	sample_1	solid	sample_conditions_1
2D 13C-13C with spin diffusion	sample_1	solid	sample_conditions_1
2D 13C-13C with RAD	sample_1	solid	sample_conditions_1
2D 13C-13C with PAR	sample_1	solid	sample_conditions_1
2D 15N-13C TEDOR	sample_1	solid	sample_conditions_1
2D 15N-13C TEDOR	sample_1	solid	sample_conditions_1
15N- and 13C-BARE	sample_1	solid	sample_conditions_1
13C PITHIRDS-CT	sample_1	solid	sample_conditions_1
2D 13C-13C with fpRFDR	sample_1	solid	sample_conditions_1

Software:

X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - structure calculations

NMR spectrometers:

Varian InfinityPlus 600 MHz
Varian Infinity 750 MHz
Varian InfinityPlus 400 MHz

UNP	P86906.1
AlphaFold	P86906

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