BMRB Entry 51584

Title:
Backbone 13C and 15N Chemical Shift Assignments for fibrillar Amyloid Beta (1-42) at pH 7.0
Deposition date:
2022-08-18
Original release date:
2023-05-10
Authors:
Becker, Nina; Gardon, Luis; Gremer, Lothar; Willbold, Dieter; Heise, Henrike
Citation:

Citation: Becker, Nina; Frieg, Benedikt; Gremer, Lothar; Kupreichyk, Tatsiana; Freiburg, Patrick; Gardon, Luis; Neudecker, Philipp; Willbold, Dieter; Gohlke, Holger; Heise, Henrike. "Atomic Resolution Insights into pH Shift Induced Deprotonation Events in LS-Shaped Ab(1-42) Amyloid Fibrils"  J. Am. Chem. Soc. 145, 2161-2169 (2023).
PubMed: 36653015

Assembly members:

Assembly members:
entity_1, polymer, 42 residues, 4514.1 Da.

Natural source:

Natural source:   Common Name: Human   Taxonomy ID: 9606   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Homo sapiens

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET302/NT-His

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: DAEFRHDSGYEVHHQKLVFF AEDVGSNKGAIIGLMVGGVV IA

Data sets:
Data typeCount
13C chemical shifts52
15N chemical shifts21

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1Abeta(1-42)1

Entities:

Entity 1, Abeta(1-42) 42 residues - 4514.1 Da.

1   ASPALAGLUPHEARGHISASPSERGLYTYR
2   GLUVALHISHISGLNLYSLEUVALPHEPHE
3   ALAGLUASPVALGLYSERASNLYSGLYALA
4   ILEILEGLYLEUMETVALGLYGLYVALVAL
5   ILEALA

Samples:

sample_1: Abeta(1-42), [U-13C; U-15N], 1.5 mM; acetonitrile 24 % v/v; trifluoroacetic acid 0.08 % v/v; citric acid 8.825 mM; Na2HPO4 82.35 mM; H2O 76 % v/v

sample_conditions_1: pH: 7.0; pressure: 1 atm; temperature: 273 K

Experiments:

NameSampleSample stateSample conditions
2D NCaCXsample_1isotropicsample_conditions_1
2D NCOCXsample_1isotropicsample_conditions_1
2D 13C-13C PDSDsample_1isotropicsample_conditions_1
2D NCasample_1isotropicsample_conditions_1

Software:

CcpNMR v2.4.2 - chemical shift assignment

TOPSPIN v4.0.1; 3.5 - collection, processing

NMR spectrometers:

  • Bruker AVANCE NEO 600 MHz
  • Bruker AVANCE III 800 MHz

Related Database Links:

UNP P05067
AlphaFold Q9UQ58