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 26679

Title: Backbone resonance assignments of pyroglutamate Abeta(3-42) in 50 % trifluoroethanol   PubMed: 26600248

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

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:
pEAb42, polymer, 40 residues, 4310.9081 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):
pEAb42: XFRHDSGYEVHHQKLVFFAE DVGSNKGAIIGLMVGGVVIA

Data sets:
Data typeCount
13C chemical shifts79
15N chemical shifts40
1H chemical shifts40

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1pEAb421

Entities:

Entity 1, pEAb42 40 residues - 4310.9081 Da.

1   PCAPHEARGHISASPSERGLYTYRGLUVAL
2   HISHISGLNLYSLEUVALPHEPHEALAGLU
3   ASPVALGLYSERASNLYSGLYALAILEILE
4   GLYLEUMETVALGLYGLYVALVALILEALA

Samples:

sample_1: pEAb42, [U-13C; U-15N], 0.1 mM; TFE, [U-2H], 50%; potassium phosphate 50 mM; H2O 50%

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

Experiments:

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

Software:

CcpNmr_Analysis v2.4, CCPN - chemical shift assignment

NMR spectrometers:

  • Bruker Avance 600 MHz

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