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BMRB: 34578

8OTF

Dynamic complex between all-D-enantiomeric peptide D3 with L723P mutant of amyloid precursor protein (APP) 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, 5965.935 Da Detail

DAEFRHDSGY EVHHQKLVFF AEDVGSNKGA IIGLMVGGVV IATVIVITLV MPKKK

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

7572.795 Da

Max. entity weight

5965.935 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: 80.6 %, Completeness: 86.6 %, Completeness (bb): 96.3 % Detail

Polymer type: polypeptide(L) polypeptide(D)

	Total	¹H	¹³C	¹⁵N
All	86.6 % (551 of 636)	86.4 % (280 of 324)	85.1 % (217 of 255)	94.7 % (54 of 57)
Backbone	96.3 % (316 of 328)	96.5 % (111 of 115)	95.0 % (151 of 159)	100.0 % (54 of 54)
Sidechain	79.0 % (282 of 357)	80.9 % (169 of 209)	77.9 % (113 of 145)	0.0 % (0 of 3)
Aromatic	0.0 % (0 of 50)	0.0 % (0 of 25)	0.0 % (0 of 25)
Methyl	100.0 % (80 of 80)	100.0 % (40 of 40)	100.0 % (40 of 40)

1. entity 1

DAEFRHDSGY EVHHQKLVFF AEDVGSNKGA IIGLMVGGVV IATVIVITLV MPKKK

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] APP_L723P_672-726, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	APP_L723P_672-726	[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] APP_L723P_672-726, 0.2 mM D3cys(MTSL), 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
2	APP_L723P_672-726	[U-13C; U-15N]		0.2 mM
3	D3cys(MTSL)	natural abundance		0.2 mM

Protein Blocks Logo

Calculated from 8 models in PDB: 7B3K, 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 : 1 : 13 : 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 10 experiments Detail

1 H/15N-HSQC