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 26964

Title: Backbone 1H, 13C, and 15N Chemical Shift Assignments for an Exon-1 Fragment of Huntingtin at pH = 1.7 and T = 25 C.   PubMed: 28085263

Deposition date: 2016-12-01 Original release date: 2016-12-29

Authors: Baias, Maria; Smith, Pieter; Shen, Koning; Joachimiak, Lukasz; Zerko, Szymon; Kozminski, Wiktor; Frydman, Judith; Frydman, Lucio

Citation: Baias, Maria; Smith, Pieter; Shen, Koning; Joachimiak, Lukasz; Zerko, Szymon; Kozminski, Wiktor; Frydman, Judith; Frydman, Lucio. "Structure and Dynamics of the Huntingtin Exon-1 N-Terminus: A Solution NMR Perspective"  J. Am. Chem. Soc. 139, 1168-1176 (2017).

Assembly members:
Htt, polymer, 49 residues, Formula weight is not available

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):
Htt: MATLEKLMKAFESLKSFQQQ QQQQQQQQQQQQQQPPPPPP LECHHHHHH

Data sets:
Data typeCount
13C chemical shifts96
15N chemical shifts32
1H chemical shifts32

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1Htt1

Entities:

Entity 1, Htt 49 residues - Formula weight is not available

1   METALATHRLEUGLULYSLEUMETLYSALA
2   PHEGLUSERLEULYSSERPHEGLNGLNGLN
3   GLNGLNGLNGLNGLNGLNGLNGLNGLNGLN
4   GLNGLNGLNGLNPROPROPROPROPROPRO
5   LEUGLUCYSHISHISHISHISHISHIS

Samples:

sample_1: Htt, [U-13C; U-15N], 125 uM; D2O, [U-2H], 10%; formic acid 10%

sample_conditions_1: pH: 1.66; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
3D HNCOsample_1isotropicsample_conditions_1
5D (H)NCO(NCA)CONHsample_1isotropicsample_conditions_1
5D HNCOCACBsample_1isotropicsample_conditions_1

Software:

SPARKY, Goddard - chemical shift assignment

NMR spectrometers:

  • Agilent DD2 800 MHz

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts