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BMRB: 34019

5LFY

Zinc bound dimer of the fragment of human amyloid-beta peptide with Alzheimer's disease pathogenic Taiwanese mutation D7H

Authors

Polshakov, V.I., Mantsyzov, A.B., Kozin, S.A.

Assembly

Amyloid beta A4 protein

Entity

1. Amyloid beta A4 protein, entity 1 (polymer, Thiol state: not present), 11 monomers, 1216.242 × 2 Da Detail

DAEFRHHSGY X

2. Amyloid beta A4 protein, entity ZN (non-polymer), 65.409 × 2 Da

Total weight

2563.3018 Da

Max. entity weight

1216.242 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 90.9 %, Completeness: 86.7 %, Completeness (bb): 76.7 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	86.7 % (98 of 113)	96.6 % (56 of 58)	77.8 % (35 of 45)	70.0 % (7 of 10)
Backbone	76.7 % (46 of 60)	95.2 % (20 of 21)	65.5 % (19 of 29)	70.0 % (7 of 10)
Sidechain	98.4 % (61 of 62)	97.3 % (36 of 37)	100.0 % (25 of 25)
Aromatic	100.0 % (26 of 26)	100.0 % (13 of 13)	100.0 % (13 of 13)
Methyl	100.0 % (2 of 2)	100.0 % (1 of 1)	100.0 % (1 of 1)

1. entity 1

DAEFRHHSGY X

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 278 K, pH 7.0 (±0.02), Details 1.4 mM D7H_Abeta(1-10), 2.8 mM ZnCl2, 10 mM [U-99% 2D] bis-Tris-d19, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	D7H_Abeta(1-10)	natural abundance	1.4 mM
2	ZnCl2	natural abundance	2.8 mM
3	bis-Tris-d19	[U-99% 2D]	10 mM

Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 278 K, pH 7.0 (±0.02), Details 1.4 mM D7H_Abeta(1-10), 2.8 mM ZnCl2, 10 mM [U-99% 2D] bis-Tris-d19, 100% D2O

#	Name	Isotope labeling	Concentration
4	D7H_Abeta(1-10)	natural abundance	1.4 mM
5	ZnCl2	natural abundance	2.8 mM
6	bis-Tris-d19	[U-99% 2D]	10 mM

Protein Blocks Logo

Calculated from 20 models in PDB: 5LFY, Strand ID: A, B Detail

Release date

2016-11-10

Citation

A Binuclear Zinc Interaction Fold Discovered in the Homodimer of Alzheimer's Amyloid-β Fragment with Taiwanese Mutation D7H
Polshakov, V.I., Mantsyzov, A.B., Kozin, S.A., Adzhubei, A.A., Zhokhov, S.S., van Beek, W., Kulikova, A.A., Indeykina, M.I., Mitkevich, V.A., Makarov, A.A.
Angew. Chem Int Ed Engl. (2017), 56, 11734-11739, PubMed 28570778 , DOI 10.1002/anie.201704615 , Abstract

Related entities 1. Amyloid beta A4 protein, entity 1, : 1 : 52 entities Detail

Experiments performed 11 experiments Detail

1 2D DQF-COSY

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 278 K, pH 7.0 (±0.02), Details 1.4 mM D7H_Abeta(1-10), 2.8 mM ZnCl2, 10 mM [U-99% 2D] bis-Tris-d19, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	D7H_Abeta(1-10)	natural abundance	1.4 mM
2	ZnCl2	natural abundance	2.8 mM
3	bis-Tris-d19	[U-99% 2D]	10 mM

2 2D 1H-1H TOCSY

Instrument

Bruker Avance - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	D7H_Abeta(1-10)	natural abundance	1.4 mM
2	ZnCl2	natural abundance	2.8 mM
3	bis-Tris-d19	[U-99% 2D]	10 mM

3 2D 1H-1H NOESY

Instrument

Bruker Avance - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	D7H_Abeta(1-10)	natural abundance	1.4 mM
2	ZnCl2	natural abundance	2.8 mM
3	bis-Tris-d19	[U-99% 2D]	10 mM

4 2D 1H-15N HSQC

Instrument

Bruker Avance - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	D7H_Abeta(1-10)	natural abundance	1.4 mM
2	ZnCl2	natural abundance	2.8 mM
3	bis-Tris-d19	[U-99% 2D]	10 mM

5 2D 1H-13C HSQC aliphatic

Instrument

Bruker Avance - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	D7H_Abeta(1-10)	natural abundance	1.4 mM
2	ZnCl2	natural abundance	2.8 mM
3	bis-Tris-d19	[U-99% 2D]	10 mM

6 2D 1H-13C HSQC aromatic

Instrument

Bruker Avance - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	D7H_Abeta(1-10)	natural abundance	1.4 mM
2	ZnCl2	natural abundance	2.8 mM
3	bis-Tris-d19	[U-99% 2D]	10 mM

7 2D 1H-13C HSQC aliphatic