BMRB: 34763

Molecular structure of Cu(II)-bound amyloid-beta monomer implicated in inhibition of peptide self-assembly in Alzheimer's disease

Authors

Abelein, A., Ciofi-Baffoni, S., Morman, C., Kumar, R., Giachetti, A., Piccioli, M., Biverstal, H.

Assembly

Amyloid-beta A4 protein

Entity

1. Amyloid-beta A4 protein, entity 1 (polymer, Thiol state: not present), 40 monomers, 4329.801 Da Detail

DAEFRHDSGY EVHHQKLVFF AEDVGSNKGA IIGLMVGGVV

2. Amyloid-beta A4 protein, entity CU (non-polymer), 63.546 Da

Total weight

4393.3467 Da

Max. entity weight

4329.801 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 97.5 %, Completeness: 35.7 %, Completeness (bb): 63.3 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	35.7 % (159 of 446)	15.9 % (36 of 226)	48.0 % (85 of 177)	88.4 % (38 of 43)
Backbone	63.3 % (152 of 240)	39.5 % (34 of 86)	71.9 % (82 of 114)	90.0 % (36 of 40)
Sidechain	11.7 % (28 of 240)	1.4 % (2 of 140)	24.7 % (24 of 97)	66.7 % (2 of 3)
Aromatic	4.0 % (2 of 50)	0.0 % (0 of 25)	8.0 % (2 of 25)
Methyl	4.3 % (2 of 46)	4.3 % (1 of 23)	4.3 % (1 of 23)

1. entity 1

DAEFRHDSGY EVHHQKLVFF AEDVGSNKGA IIGLMVGGVV

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1013.25 mbar, Temperature 281 K, pH 7.2, Details 10 mM no HEPES, 10 % D2 D2O, 100 uM no copper, 75 uM [U-100% 13C; U-100% 15N] amyloid beta, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	HEPES	natural abundance		10 mM
2	D2O	D2		10 %
3	copper	natural abundance		100 uM
4	amyloid beta	[U-100% 13C; U-100% 15N]		75 uM

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Release date

2023-01-25

Citation

Molecular Structure of Cu(II)-Bound Amyloid-β Monomer Implicated in Inhibition of Peptide Self-Assembly in Alzheimer's Disease
Abelein, A., Ciofi-Baffoni, S., Morman, C., Kumar, R., Giachetti, A., Piccioli, M., Biverstal, H.
JACS Au (2022), 2, 2571-2584, PubMed 36465548 , DOI 10.1021/jacsau.2c00438 , Abstract

Entries sharing articles BMRB: 1 entries Detail

Related entities 1. Amyloid-beta A4 protein, entity 1, : 1 : 90 : 5 : 7 : 12 entities Detail

Interaction partners 1. Amyloid-beta A4 protein, entity 1, : 95 interactors Detail

Experiments performed 2 experiments Detail

Chemical shift validation 4 contents Detail