BMRB Entry 34440

Name: Solution structure of the amyloid beta-peptide (1-42)
Published: 2020-10-09

Click here to enlarge.

PDB ID: 6szf
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR34440
MolProbity Validation Chart

NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry

Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

Select model:

I am color blind

Download raw data. Direct link to this display. Help

Title:

Solution structure of the amyloid beta-peptide (1-42)

Deposition date:

2019-10-02

Original release date:

2020-10-09

Authors:

Grimaldi, M.; Santoro, A.; Stillitano, I.; Buonocore, M.; D'Ursi, A.

Citation:

Citation: Santoro, Angelo; Grimaldi, Manuela; Buonocore, Michela; Stillitano, Ilaria; D'Ursi, Anna Maria. "Exploring the Early Stages of the Amyloid Abeta(1-42) Peptide Aggregation Process: An NMR Study" Pharmaceuticals (Basel) 14, 732-732 (2021).
PubMed: 34451828

Assembly members:

Assembly members:
entity_1, polymer, 42 residues, 4520.087 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):
entity_1: DAEFRHDSGYEVHHQKLVFF AEDVGSNKGAIIGLMVGGVV IA

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1
spectral_peak_list
- spectral_peak_list_1

Data type	Count
1H chemical shifts	280

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
Hide all

Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	entity_1	1

Entities:

Entity 1, entity_1 42 residues - 4520.087 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: Amyloid beta-peptide (1-42) 0.5 mM

sample_conditions_1: ionic strength: 0 Not defined; pH: 5.4; pressure: 1 atm; temperature: 300 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_1	isotropic	sample_conditions_1

Software:

CYANA v2.1, Guntert P., Guntert, Mumenthaler and Wuthrich - refinement, structure calculation

Sparky, Goddard - chemical shift assignment, peak picking

NMR spectrometers:

Bruker AVANCE 600 MHz