BMRB Entry 19112

Name: Structural characterization by NMR of a double phosphorylated chimeric peptide vaccine for treatment of Alzheimer's disease
Published: 2013-05-03

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR19112

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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: Structural characterization by NMR of a double phosphorylated chimeric peptide vaccine for treatment of Alzheimer's disease PubMed: 23624647

Deposition date: 2013-03-27 Original release date: 2013-05-03

Authors: Matzapetakis, Manolis; Ramirez-Gualito, Karla; Richter, Monique; Berger, Stefan; Singer, David

Citation: Ramirez-Gualito, Karla; Richter, Monique; Matzapetakis, Manolis; Singer, David; Berger, Stefan. "Structural characterization by NMR of a double phosphorylated chimeric Peptide vaccine for treatment of Alzheimer's disease" Molecules 18, 4929-4941 (2013).

Assembly members:
TAU231, polymer, 28 residues, 2984.9 Da.

Natural source: Common Name: not available Taxonomy ID: not available Superkingdom: not available Kingdom: not available Genus/species: not available not available

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):
TAU231: QDAYNAGGGHNGVFDGPSLV RXPPKXPS

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list

Data type	Count
13C chemical shifts	66
15N chemical shifts	20
1H chemical shifts	113

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	TAU231	1

Entities:

Entity 1, TAU231 28 residues - 2984.9 Da.

1

GLN

ASP

ALA

TYR

ASN

ALA

GLY

HIS

2

ASN

GLY

VAL

PHE

ASP

GLY

PRO

SER

LEU

VAL

3

ARG

TPO

PRO

LYS

SEP

PRO

SER

Samples:

sample: TAU231 1 mM; D2O 10%; DSS 0.1 mM; sodium phosphate 200 mM

sample_conditions_1: ionic strength: 0.2 M; pH: 5.8; pressure: 1 atm; temperature: 300 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample	isotropic	sample_conditions_1
2D DQF-COSY	sample	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample	isotropic	sample_conditions_1
2D 1H-1H ROESY	sample	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample	isotropic	sample_conditions_1
2D 1H-13C HMBC	sample	isotropic	sample_conditions_1

Software:

ANALYSIS v2.2, CCPN - chemical shift assignment

NMR spectrometers:

Bruker Avance 700 MHz
Bruker Avance 800 MHz

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts