BMRB Entry 51993

Title:
Backbone 13C and 15N Chemical Shift Assignments for Fibrils of Pyroglutamate Amyloid beta (3-42) at pH 2
Deposition date:
2023-06-08
Original release date:
2023-07-10
Authors:
Gardon, Luis; Becker, Nina; Gremer, Lothar; Heise, Henrike
Citation:

Citation: Gardon, Luis; Becker, Nina; Gremer, Lothar; Heise, Henrike. "Structural Impact of N-terminal Pyroglutamate in an Amyloid-b(3-42) Fibril Probed by Solid-State NMR Spectroscopy"  Chemistry 30, e202303007-e202303007 (2024).
PubMed: 38100216

Assembly members:

Assembly members:
entity_1, polymer, 40 residues, 4180.8 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: XFRHDSGYEVHHQKLVFFAE DVGSNKGAIIGLMVGGVVIA

Data sets:
Data typeCount
13C chemical shifts148
15N chemical shifts40

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1pEAbeta (3-42)1

Entities:

Entity 1, pEAbeta (3-42) 40 residues - 4180.8 Da.

1   PCAPHEARGHISASPSERGLYTYRGLUVAL
2   HISHISGLNLYSLEUVALPHEPHEALAGLU
3   ASPVALGLYSERASNLYSGLYALAILEILE
4   GLYLEUMETVALGLYGLYVALVALILEALA

Samples:

sample_1: Pyroglutamate Amyloid beta (3-42), [U-100% 13C; U-100% 15N], 1.5 mM; acetonitrile 30 % v/v; trifluoroacetic acid 0.1 % v/v; H2O 70 % v/v

sample_conditions_1: pH: 2; pressure: 1 atm; temperature: 263 K

Experiments:

NameSampleSample stateSample conditions
2D NCACXsample_1isotropicsample_conditions_1
2D NCOCXsample_1isotropicsample_conditions_1
3D NCACXsample_1isotropicsample_conditions_1
3D NCOCXsample_1isotropicsample_conditions_1
2D 13C/13C PDSDsample_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