BMRB Entry 30596

Name: S8 phosphorylated beta amyloid 40 fibrils
Published: 2019-05-31

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PDB ID: 6oc9
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR30596
MolProbity Validation Chart

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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:

S8 phosphorylated beta amyloid 40 fibrils

Deposition date:

2019-03-22

Original release date:

2019-05-31

Authors:

Qiang, W.; Hu, Z.

Citation:

Citation: Hu, Z.; Vugmeyster, L.; Au, D.; Ostrovsky, D.; Sun, Y.; Qiang, W.. "Molecular structure of an N-terminal phosphorylated beta-amyloid fibril" Proc. Natl. Acad. Sci. U. S. A. 116, 11253-11258 (2019).
PubMed: 31097588

Assembly members:

Assembly members:
entity_1, polymer, 40 residues, 4335.852 Da.
entity_2PO, non-polymer, 79.980 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):
entity_1: DAEFRHDSGYEVHHQKLVFF AEDVGSNKGAIIGLMVGGVV

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	123

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	entity_1, 1	1
2	entity_1, 2	1
3	entity_1, 3	1
4	entity_1, 4	1
5	entity_1, 5	1
6	entity_1, 6	1
7	entity_1, 7	1
8	entity_1, 8	1
9	entity_1, 9	1
10	entity_1, 10	1
11	entity_2, 1	2
12	entity_2, 2	2
13	entity_2, 3	2
14	entity_2, 4	2
15	entity_2, 5	2
16	entity_2, 6	2
17	entity_2, 7	2
18	entity_2, 8	2
19	entity_2, 9	2
20	entity_2, 10	2

Entities:

Entity 1, entity_1, 1 40 residues - 4335.852 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

Entity 2, entity_2, 1 - H O3 P - 79.980 Da.

1

2PO

Name	Sample	Sample state	Sample conditions
2D spin diffusion	sample_1	anisotropic	sample_conditions_1
1D PITHIRDs-CT	sample_3	anisotropic	sample_conditions_1
1D 13C-31P REDOR	sample_3	anisotropic	sample_conditions_1
2H relaxation	sample_2	anisotropic	sample_conditions_1
2H static	sample_2	anisotropic	sample_conditions_1

BMRB Entry 30596

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