BMRB Entry 30545

Title:
Structure of the Huttingtin tetramer/dimer mixture determined by paramagnetic NMR
Deposition date:
2018-11-29
Original release date:
2019-02-08
Authors:
Schwieters, C.; Kotler, S.; Schmidt, T.; Ceccon, A.; Ghirlando, R.; Libich, D.; Clore, G.
Citation:

Citation: Kotler, S.; Tugarinov, V.; Schmidt, T.; Ceccon, A.; Libich, D.; Ghirlando, R.; Schwieters, C.; Clore, G.. "Probing initial transient oligomerization events facilitating Huntingtin fibril nucleation at atomic resolution by relaxation-based NMR"  Proc. Natl. Acad. Sci. U.S.A. 116, 3562-3571 (2019).
PubMed: 30808748

Assembly members:

Assembly members:
entity_1, polymer, 23 residues, 2743.116 Da.

Natural source:

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

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: ATLEKLMKAFESLKSFQQQQ QQQ

Data sets:
Data typeCount
13C chemical shifts21
15N chemical shifts16

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_1, 11
2entity_1, 21
3entity_1, 31
4entity_1, 41

Entities:

Entity 1, entity_1, 1 23 residues - 2743.116 Da.

1   ALATHRLEUGLULYSLEUMETLYSALAPHE
2   GLUSERLEULYSSERPHEGLNGLNGLNGLN
3   GLNGLNGLN

Samples:

sample_2: httNT-Q7, [U-13C; U-15N], 1 mM

sample_3: 2-13C glucose, httNT-Q7, [U-15N], 1 mM

sample_4: httNT-Q7, [U-15N], 0.6 mM

sample_5: 2-13C glucose, httNT-Q7, [U-15N], 0.75 mM

sample_6: 2-13C glucose, httNT-Q7, [U-15N], 0.4 mM

sample_conditions_1: ionic strength: 50 mM; pH: 6.5; pressure: 1 atm; temperature: 278 K

sample_conditions_2: ionic strength: 50 mM; pH: 6.5; pressure: 1 atm; temperature: 283 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_2isotropicsample_conditions_1
2D 1H-13C CT HSQCsample_2isotropicsample_conditions_1
3D CBCA(CO)NHsample_2isotropicsample_conditions_2
3D HNCACBsample_2isotropicsample_conditions_2
3D TOCSY-HSQCsample_4isotropicsample_conditions_2
13CA SQ CPMGsample_3isotropicsample_conditions_1
13CA SQ CPMGsample_5isotropicsample_conditions_1
15N SQ CPMGsample_3isotropicsample_conditions_1
15N SQ CPMGsample_5isotropicsample_conditions_1
1HN PREsample_4isotropicsample_conditions_2
13CA SQ CPMGsample_6isotropicsample_conditions_1
15N SQ CPMGsample_6isotropicsample_conditions_1

Software:

Xplor-NIH v2.49, C.D. Schwieters, J.J. Kuszewski, N. Tjandra, and G.M. Clore - structure calculation

Analysis v2.4, CCPN - chemical shift assignment

NMRDraw, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - peak picking

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - data analysis, processing

TOPSPIN, Bruker Biospin - collection

NMR spectrometers:

  • Bruker AvanceIII 600 MHz
  • Bruker AvanceIII 800 MHz
  • Bruker AvanceIII 900 MHz