BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 26678

Title: Backbone resonance assignments of Abeta(1-42) in aqueous trifluoroethanol   PubMed: 26600248

Authors: Willbold, Dieter; Dammers, Christina; Schwarten, Melanie; Lecher, Justin; Stoldt, Matthias; Reiss, Kerstin

Citation: Dammers, Christina; Reiss, Kerstin; Gremer, Lothar; Lecher, Justin; Ziehm, Tamar; Stoldt, Matthias; Schwarten, Melanie; Willbold, Dieter. "Structural Analysis and Aggregation Propensity of Pyroglutamate Abeta(3-40) in Aqueous Trifluoroethanol"  PLoS One 10, e0143647-e0143647 (2015).

Assembly members:
Abeta(1-42), polymer, 42 residues, 4514.0824 Da.

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

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli

Entity Sequences (FASTA):
Abeta(1-42): DAEFRHDSGYEVHHQKLVFF AEDVGSNKGAIIGLMVGGVV IA

Data sets:
Data typeCount
13C chemical shifts83
15N chemical shifts41
1H chemical shifts41

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

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

Entities:

Entity 1, Abeta(1-42) 42 residues - 4514.0824 Da.

1   ASPALAGLUPHEARGHISASPSERGLYTYR
2   GLUVALHISHISGLNLYSLEUVALPHEPHE
3   ALAGLUASPVALGLYSERASNLYSGLYALA
4   ILEILEGLYLEUMETVALGLYGLYVALVAL
5   ILEALA

Samples:

sample_1: Ab1-42, [U-13C; U-15N], 0.1 mM; TFE, [U-2H], 40%; potassium phosphate 50 mM

aqueous_trifluoroethanol: ionic strength: 0.050 M; pH: 2.800; pressure: 1.000 atm; temperature: 293.150 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQC/HMQCsample_1isotropicaqueous_trifluoroethanol
3D HNCAsample_1isotropicaqueous_trifluoroethanol
3D HNCOsample_1isotropicaqueous_trifluoroethanol

Software:

CcpNmr_Analysis v2.4, CCPN - chemical shift assignment

NMR spectrometers:

  • Bruker Avance 600 MHz

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