BMRB Entry 34454

Name: A New Structural Model of Abeta(1-40) Fibrils
Published: 2020-07-18

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR34454

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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: A New Structural Model of Abeta(1-40) Fibrils PubMed: 32749391

Deposition date: 2019-11-21 Original release date: 2020-07-18

Authors: Bertini, I.; Gonnelli, L.; Luchinat, C.; Mao, J.; Nesi, A.

Citation: Cerofolini, L.; Ravera, E.; Bologna, S.; Wiglenda, T.; Boddrich, A.; Bettina, P.; Benilova, I.; Korsak, M.; Gallo, G.; Rizzo, D.; Gonnelli, L.; Fragai, M.; De Strooper, B.; Wanker, E.; Luchinat, C.. "Mixing Abeta(1-40) and Abeta(1-42) peptides generates unique amyloid fibrils" Chem. Commun. (Camb.) 56, 8830-8833 (2020).

Assembly members:
entity_1, polymer, 40 residues, 4335.852 Da.

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

Entity Sequences (FASTA):
entity_1: DAEFRHDSGYEVHHQKLVFF AEDVGSNKGAIIGLMVGGVV

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	159
15N chemical shifts	38

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Entity Assembly ID	Entity Name	Entity ID
1	unit_1	1
2	unit_2	1
3	unit_3	1
4	unit_4	1
5	unit_5	1
6	unit_6	1
7	unit_7	1
8	unit_8	1
9	unit_9	1
10	unit_10	1
11	unit_11	1
12	unit_12	1
13	unit_13	1
14	unit_14	1
15	unit_15	1
16	unit_16	1

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

Name	Sample	Sample state	Sample conditions
2D 15N-13C NCA	sample_1	anisotropic	sample_conditions_1
2D 15N-13C NCO	sample_1	anisotropic	sample_conditions_1
3D NCACX	sample_1	anisotropic	sample_conditions_1
3D NCOCX	sample_1	anisotropic	sample_conditions_1
3D CANCO	sample_1	anisotropic	sample_conditions_1
2D 13C-13C DARR (<100 ms)	sample_1	anisotropic	sample_conditions_1
2D 15N-13C PAIN	sample_1	anisotropic	sample_conditions_1
2D 13C-13C DARR/PDSD (>100 ms)	sample_1	anisotropic	sample_conditions_1
2D 13C-13C PAR (10-15 ms)	sample_1	anisotropic	sample_conditions_1

Biological Magnetic Resonance Data Bank

BMRB Entry 34454

Title: A New Structural Model of Abeta(1-40) Fibrils PubMed: 32749391

Additional metadata:

Assembly:

Entities:

Samples:

Experiments:

Software:

NMR spectrometers:

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