BMRB Entry 18052

Name: Structural analysis of the pyroglutamate modified isoform of the Alzheimer&#039;s disease related beta-amyloid using NMR spectroscopy
Published: 2012-10-29

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR18052

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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 analysis of the pyroglutamate modified isoform of the Alzheimer's disease related beta-amyloid using NMR spectroscopy

Deposition date:

2011-11-11

Original release date:

2012-10-29

Authors:

Sun, Na; Hartmann, Rudolf; Lecher, Justin; Stoldt, Matthias; Willbold, Dieter

Citation:

Citation: Sun, Na; Hartmann, Rudolf; Lecher, Justin; Stoldt, Matthias; Funke, Susanne Aileen; Gremer, Lothar; Ludwig, Hans-Henning; Demuth, Hans-Ulrich; Kleinschmi, Martin; Willbold, Dieter. "Structural analysis of the pyroglutamate modified isoform of the Alzheimer's disease related beta-amyloid using NMR spectroscopy" J. Pept. Sci. 18, 691-695 (2012).
PubMed: 23001756

Assembly members:

Assembly members:
Pyroglutamate_Abeta, polymer, 38 residues, 4125.6626 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 Host organism: Synthetic

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Pyroglutamate_Abeta: XFRHDSGYEVHHQKLVFFAE DVGSNKGAIIGLMVGGVV

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list

Data type	Count
1H chemical shifts	217

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	PyroAb	1

Entities:

Entity 1, PyroAb 38 residues - 4125.6626 Da.

1

PCA

PHE

ARG

HIS

ASP

SER

GLY

TYR

GLU

VAL

2

HIS

GLN

LYS

LEU

VAL

PHE

ALA

GLU

3

ASP

VAL

GLY

SER

ASN

LYS

GLY

ALA

ILE

4

GLY

LEU

MET

VAL

GLY

VAL

Samples:

1: Pyroglutamate Abeta 0.1 mM; Trifluoroethanol 40%; H2O 60%

Standard: ionic strength: 0.050 M; pH: 2.800; pressure: 1.000 atm; temperature: 298.000 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-1H TOCSY	1	isotropic	Standard
2D 1H-1H NOESY	1	isotropic	Standard

Software:

ANALYSIS v2.1, CCPN - assignment

NMRPipe v5.99.2011.242.16.23, NIH - conversion, processing

VnmrJ v2.3A, Agilent Technologies (formerly Varian) - data recording, spectrometer operation

NMR spectrometers:

Varian VNMRS 900 MHz

Related Database Links:

BMRB	11435 15775 17159 17186 17764 17793 17794 17795 17796 18127 18128 18129 18131 19009 19309 19393 25218 25289 25429 26508 26516
PDB	1AMB 1AMC 1AML 1BA4 1BA6 1HZ3 1IYT 1Z0Q 2BEG 2G47 2LFM 2LMN 2LMO 2LMP 2LMQ 2LNQ 2LP1 2M4J 2M9R 2M9S 2MVX 2MXU 2OTK 2WK3 3BAE 3IFN 4HIX 4M1C 4MVI 4MVL 4NGE 4ONG 5AEF
DBJ	BAA22264 BAA84580 BAB71958 BAD51938 BAE01907
EMBL	CAA30050 CAA31830 CAA39589 CAA39590 CAA39591
GB	AAA35540 AAA36829 AAA51564 AAA51722 AAA51726
PIR	A60045 D60045 E60045 G60045 PQ0438
PRF	1303338A 1403400A 1405204A 1507304A 1507304B
REF	NP_000475 NP_001006601 NP_001013036 NP_001070264 NP_001127014
SP	P05067 P53601 P79307 P86906 Q28053
TPG	DAA33655
AlphaFold	P05067 P53601 P79307 P86906 Q28053