BMRB Entry 26678

Name: Backbone resonance assignments of Abeta(1-42) in aqueous trifluoroethanol
Published: 2015-12-17

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR26678

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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 resonance assignments of Abeta(1-42) in aqueous trifluoroethanol

Deposition date:

2015-10-06

Original release date:

2015-12-17

Authors:

Willbold, Dieter; Dammers, Christina; Schwarten, Melanie; Lecher, Justin; Stoldt, Matthias; Reiss, Kerstin

Citation:

Citation: Dammers, Christina; Reiss, Kerstin; Gremer, Lothar; Lecher, Justin; Ziehm, Tamar; Stoldt, Matthias; Schwarten, Melanie; Willbold, Dieter. "Structural Analysis and Aggregation Propensity of Pyroglutamate Abeta(3-40) in Aqueous Trifluoroethanol" PLoS One 10, e0143647-e0143647 (2015).
PubMed: 26600248

Assembly members:

Assembly members:
Abeta(1-42), polymer, 42 residues, 4514.0824 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 Vector: pRSET

Entity Sequences (FASTA):

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

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list

Data type	Count
13C chemical shifts	83
15N chemical shifts	41
1H chemical shifts	41

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 - 4514.0824 Da.

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: Ab1-42, [U-13C; U-15N], 0.1 mM; TFE, [U-2H], 40%; potassium phosphate 50 mM

aqueous_trifluoroethanol: ionic strength: 0.050 M; pH: 2.800; pressure: 1.000 atm; temperature: 293.150 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC/HMQC	sample_1	isotropic	aqueous_trifluoroethanol
3D HNCA	sample_1	isotropic	aqueous_trifluoroethanol
3D HNCO	sample_1	isotropic	aqueous_trifluoroethanol

Software:

CcpNmr_Analysis v2.4, CCPN - chemical shift assignment

NMR spectrometers:

Bruker Avance 600 MHz

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks