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BMRB: 34577

8OTF

Dynamic complex between all-D-enantiomeric peptide D3 with wild-type amyloid precursor protein 672-726 fragment (amyloid beta 1-55)

Authors

Bocharov, E.V., Volynsky, P.E., Okhrimenko, I.S., Urban, A.S.

Assembly

Isoform L-APP677 of Amyloid-beta precursor protein, D3 all D-enantimeric peptide

Entity

1. Isoform L-APP677 of Amyloid-beta precursor protein, D3 all D-enantimeric peptide, entity 1 (polymer, Thiol state: not present), 55 monomers, 5981.978 Da Detail

DAEFRHDSGY EVHHQKLVFF AEDVGSNKGA IIGLMVGGVV IATVIVITLV MLKKK

2. Isoform L-APP677 of Amyloid-beta precursor protein, D3 all D-enantimeric peptide, entity 2 (polymer, Thiol state: not present), 12 monomers, 1606.860 Da

Total weight

7588.838 Da

Max. entity weight

5981.978 Da

Source organism

Homo sapiens , synthetic construct

Exptl. method

solution NMR

Refine. method

molecular dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 82.1 %, Completeness: 88.7 %, Completeness (bb): 97.9 % Detail

Polymer type: polypeptide(L) polypeptide(D)

	Total	¹H	¹³C	¹⁵N
All	88.7 % (566 of 638)	88.9 % (288 of 324)	87.1 % (223 of 256)	94.8 % (55 of 58)
Backbone	97.9 % (323 of 330)	98.3 % (114 of 116)	96.9 % (154 of 159)	100.0 % (55 of 55)
Sidechain	81.5 % (291 of 357)	83.7 % (174 of 208)	80.1 % (117 of 146)	0.0 % (0 of 3)
Aromatic	0.0 % (0 of 50)	0.0 % (0 of 25)	0.0 % (0 of 25)
Methyl	100.0 % (84 of 84)	100.0 % (42 of 42)	100.0 % (42 of 42)

1. entity 1

DAEFRHDSGY EVHHQKLVFF AEDVGSNKGA IIGLMVGGVV IATVIVITLV MLKKK

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 6.9, Details 0.2 mM [U-13C; U-15N] APP672-726, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	APP672-726	[U-13C; U-15N]		0.2 mM

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 6.9, Details 0.2 mM [U-13C; U-15N] APP672-726, 0.2 mM D3cys(MTSL), 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
2	APP672-726	[U-13C; U-15N]		0.2 mM
3	D3cys(MTSL)	natural abundance		0.2 mM

Sample #3

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 6.9, Details 0.2 mM [U-13C; U-15N] APP672-726, 0.2 mM (MTSL)cysD3, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
4	APP672-726	[U-13C; U-15N]		0.2 mM
5	(MTSL)cysD3	natural abundance		0.2 mM

Protein Blocks Logo

Calculated from 10 models in PDB: 7B3J, Strand ID: A Detail

Release date

2021-01-05

Citation

All-d-Enantiomeric Peptide D3 Designed for Alzheimer's Disease Treatment Dynamically Interacts with Membrane-Bound Amyloid-β Precursors
Bocharov, E.V., Gremer, L., Urban, A.S., Okhrimenko, I.S., Volynsky, P.E., Nadezhdin, K.D., Bocharova, O.V., Kornilov, D.A., Zagryadskaya, Y.A., Kamynina, A.V., Kuzmichev, P.K., Kutzsche, J., Bolakhrif, N., Muller-Schiffmann, A., Dencher, N.A., Arseniev, A.S., Efremov, R.G., Gordeliy, V.I., Willbold, D.
J. Med. Chem. (2021), 64, 16464-16479, PubMed 34739758 , DOI 10.1021/acs.jmedchem.1c00632 , Abstract

Related entities 1. Isoform L-APP677 of Amyloid-beta precursor protein, D3 all D-enantimeric peptide, entity 1, : 1 : 9 : 5 : 20 entities Detail

Interaction partners 1. Isoform L-APP677 of Amyloid-beta precursor protein, D3 all D-enantimeric peptide, entity 1, : 2 interactors Detail

More details for 2 interactors identified by 2 citations

Experiments performed 12 experiments Detail

1 H/15N-HSQC