BMRB Entry 25218

Name: Chemical shifts of amyloid beta (1-42) peptide in aqueous solution
Published: 2015-03-17

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR25218

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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:

Chemical shifts of amyloid beta (1-42) peptide in aqueous solution

Deposition date:

2014-09-11

Original release date:

2015-03-17

Authors:

Walti, Marielle; Orts, Julien; Vogeli, Beat; Campioni, Silvia; Riek, Roland

Citation:

Citation: Walti, Marielle; Orts, Julien; Vogeli, Beat; Campioni, Silvia; Riek, Roland. "Solution NMR Studies of Recombinant Abeta(1-42): From the Presence of a Micellar Entity to Residual Beta-Sheet Structure in the Soluble Species" Chembiochem. 16, 659-669 (2015).
PubMed: 25676345

Assembly members:

Assembly members:
amyloid_peptide, polymer, 42 residues, Formula weight is not available

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):
amyloid_peptide: DAEFRHDSGYEVHHQKLVFF AEDVGSNKGAIIGLMVGGVV IA

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	78
15N chemical shifts	42
1H chemical shifts	242

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	entity	1

Entities:

Entity 1, entity 42 residues - Formula weight is not available

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: amyloid_peptide, [U-13C; U-15N], 0.5 – 0.7 mM; H2O 90%; D2O 10%

sample_conditions_1: temperature: 273 K; pH: 7.4; pressure: 1 atm; ionic strength: 20 mM

Experiments:

Name	Sample	Sample state	Sample conditions
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D HN(CO)CA	sample_1	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_1	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-15N TOCSY	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY aliphatic	sample_1	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_1	isotropic	sample_conditions_1

Software:

ccpNMR, CCPN - chemical shift assignment, peak picking

NMR spectrometers:

Bruker Avance 700 MHz

Related Database Links:

BMRB	11435 15775 17159 17186 17764 17793 17794 17795 17796 18052 18127 18128 18129 18131 19009 19309 19393 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

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