BMRB Entry 17642
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR17642
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Title: Solution structure of the N-terminal domain of huntingtin (htt17) in 50 % TFE PubMed: 23931318
Deposition date: 2011-05-13 Original release date: 2012-08-30
Authors: Michalek, Matthias; Salnikov, Evgeniy; Werten, Sebastiaan; Bechinger, Burkhard
Citation: Michalek, Matthias; Salnikov, Evgeniy; Bechinger, Burkhard. "Structure and Topology of the Huntingtin 1-17 Membrane Anchor by a Combined Solution and Solid-State NMR Approach" Biophys. J. 105, 699-710 (2013).
Assembly members:
htt17, polymer, 17 residues, 1977.422 Da.
Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
htt17: MATLEKLMKAFESLKSF
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 74 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | htt17 | 1 |
Entities:
Entity 1, htt17 17 residues - 1977.422 Da.
| 1 | MET | ALA | THR | LEU | GLU | LYS | LEU | MET | LYS | ALA | ||||
| 2 | PHE | GLU | SER | LEU | LYS | SER | PHE |
Samples:
htt_tfe: htt17, 15N labeled at PHE11, 0.2 – 0.3 mM; D2O 10%; TFE, d3, 50%; PBS 40%
sample_conditions_1: ionic strength: 0.15 M; pH: 7.2; pressure: 1 atm; temperature: 273 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H TOCSY | htt_tfe | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | htt_tfe | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | htt_tfe | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | htt_tfe | isotropic | sample_conditions_1 |
Software:
X-PLOR NIH, Bhattacharya and Montelione, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax, Johnson, One Moon Scientific, Koradi, Billeter and Wuthrich, Schwieters, Kuszewski, Tjandra and Clore - chemical shift assignment, data analysis, processing, refinement, structure solution
NMR spectrometers:
- Bruker Avance 600 MHz