BMRB: 34440

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

Authors

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

Assembly

Amyloid-beta precursor protein

Entity

1. Amyloid-beta precursor protein (polymer, Thiol state: not present), 42 monomers, 4514.037 Da Detail

DAEFRHDSGY EVHHQKLVFF AEDVGSNKGA IIGLMVGGVV IA

Formula weight

4514.037 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts, spectral_peak_list

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 95.8 %, Completeness (bb): 100.0 % Detail

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Polymer type: polypeptide(L)

	Total	1H
All	95.8 % (226 of 236)	95.8 % (226 of 236)
Backbone	100.0 % (90 of 90)	100.0 % (90 of 90)
Sidechain	93.2 % (136 of 146)	93.2 % (136 of 146)
Aromatic	64.0 % (16 of 25)	64.0 % (16 of 25)
Methyl	100.0 % (26 of 26)	100.0 % (26 of 26)

1. entity 1

DAEFRHDSGY EVHHQKLVFF AEDVGSNKGA IIGLMVGGVV IA

Show sample condition

Sample

Solvent system 50% H2O/50% HFIP, Pressure 1 atm, Temperature 300 K, pH 5.4, Details 0.5 mM Amyloid beta-peptide (1-42), 50% H2O/50% HFIP

#	Name	Isotope labeling	Type	Concentration
1	Amyloid beta-peptide (1-42)	natural abundance		0.5 mM

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Protein Blocks Logo

Calculated from 10 models in PDB: 6SZF, Strand ID: A Detail

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Release date

2020-02-12

Citation

Exploring the Early Stages of the Amyloid Aβ(1-42) Peptide Aggregation Process: An NMR Study
Santoro, A., Grimaldi, M., Buonocore, M., Stillitano, I., D'Ursi, A.M.
Pharmaceuticals (Basel). (2021), 14, 732-732, PubMed 34451828 , DOI 10.3390/ph14080732 , Abstract

Related entities 1. Amyloid-beta precursor protein, : 1 : 44 : 3 : 54 : 13 entities Detail

Interaction partners 1. Amyloid-beta precursor protein, : 96 interactors Detail

Experiments performed 2 experiments Detail

Chemical shift validation 3 contents Detail