BMRB Entry 26964
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR26964
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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
- assigned_chemical_shifts
Data type | Count |
13C chemical shifts | 96 |
15N chemical shifts | 32 |
1H chemical shifts | 32 |
Additional metadata:
Assembly:
Entity Assembly ID | Entity Name | Entity ID |
---|---|---|
1 | Htt | 1 |
Entities:
Entity 1, Htt 49 residues - Formula weight is not available
1 | MET | ALA | THR | LEU | GLU | LYS | LEU | MET | LYS | ALA | ||||
2 | PHE | GLU | SER | LEU | LYS | SER | PHE | GLN | GLN | GLN | ||||
3 | GLN | GLN | GLN | GLN | GLN | GLN | GLN | GLN | GLN | GLN | ||||
4 | GLN | GLN | GLN | GLN | PRO | PRO | PRO | PRO | PRO | PRO | ||||
5 | LEU | GLU | CYS | HIS | HIS | HIS | HIS | HIS | HIS |
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:
Name | Sample | Sample state | Sample conditions |
---|---|---|---|
3D HNCO | sample_1 | isotropic | sample_conditions_1 |
5D (H)NCO(NCA)CONH | sample_1 | isotropic | sample_conditions_1 |
5D HNCOCACB | sample_1 | isotropic | sample_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