BMRB Entry 27212

Name: Backbone 13C and 15N Chemical Shift Assignments for fibrillar Amyloid Beta (1-42)
Published: 2017-09-05

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PDB ID: 5oqv
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR27212
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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:

Backbone 13C and 15N Chemical Shift Assignments for fibrillar Amyloid Beta (1-42)

Deposition date:

2017-08-09

Original release date:

2017-09-05

Authors:

Gremer, Lothar; Schoelzel, Daniel; Schenk, Carla; Reinartz, Elke; Labahn, Joerg; Ravelli, Raimond; Tusche, Markus; Lopez-Iglesias, Carmen; Hoyer, Wolfgang; Heise, Henrike; Willbold, Dieter; Schroeder, Gunnar

Citation:

Citation: Gremer, Lothar; Scholzel, Daniel; Schenk, Carla; Reinartz, Elke; Labahn, Jorg; Ravelli, Raimond; Tusche, Markus; Lopez-Iglesias, Carmen; Hoyer, Wolfgang; Heise, Henrike; Willbold, Dieter; Schroder, Gunnar. "Fibril structure of amyloid-beta(1-42) by cryo-electron microscopy." Science 358, 116-119 (2017).
PubMed: 28882996

Assembly members:

Assembly members:
Abeta(1-42), polymer, 42 residues, 4457.04 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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Abeta(1-42): DAEFRHDSGYEVHHQKLVFF AEDVGSNKGAIIGLMVGGVV IA

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	183
15N chemical shifts	48

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Abeta(1-42)	1

Entities:

Entity 1, Abeta(1-42) 42 residues - 4457.04 Da.

human amyloid beta (1-42)

1

ASP

ALA

GLU

PHE

ARG

HIS

ASP

SER

GLY

TYR

2

GLU

VAL

HIS

GLN

LYS

LEU

VAL

PHE

3

ALA

GLU

ASP

VAL

GLY

SER

ASN

LYS

GLY

ALA

4

ILE

GLY

LEU

MET

VAL

GLY

VAL

5

ILE

ALA

Samples:

sample_1: Abeta(1-42), [U-13C; U-15N], 10 mg

sample_conditions_1: pH: 2; pressure: 1 atm; temperature: 278 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 13C-13C PDSD	sample_1	isotropic	sample_conditions_1
2D 13C-13C PDSD	sample_1	isotropic	sample_conditions_1
1D HN CP	sample_1	isotropic	sample_conditions_1
2D SPC5_2	sample_1	isotropic	sample_conditions_1
2D NCACX DARR	sample_1	isotropic	sample_conditions_1
2D NCACB DREAM	sample_1	isotropic	sample_conditions_1
2D NCOCX DARR	sample_1	isotropic	sample_conditions_1
2D NCOCX DARR	sample_1	isotropic	sample_conditions_1
3D NCOCX DARR	sample_1	isotropic	sample_conditions_1
2D NcoCACB BSH CP DREAM	sample_1	isotropic	sample_conditions_1
3D NcoCACB BSH CP DREAM	sample_1	isotropic	sample_conditions_1
2D 13C-13C PAR	sample_1	isotropic	sample_conditions_1
2D 13C-13C PDSD	sample_1	isotropic	sample_conditions_1

Software:

CcpNMR v2.4.2., CCPN - chemical shift assignment

NMR spectrometers:

Oxford AS600 600 MHz
Varian 600/54 Premium Shielded 600 MHz
Oxford 2.2K 800/63 800 MHz