BMRB Entry 30545

Name: Structure of the Huttingtin tetramer/dimer mixture determined by paramagnetic NMR
Published: 2019-02-08

Click here to enlarge.

PDB ID: 6n8c
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR30545
MolProbity Validation Chart

NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry

Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

Select model:

I am color blind

Download raw data. Direct link to this display. Help

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:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	21
15N chemical shifts	16

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
Hide all

Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	entity_1, 1	1
2	entity_1, 2	1
3	entity_1, 3	1
4	entity_1, 4	1

Entities:

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

1

ALA

THR

LEU

GLU

LYS

LEU

MET

LYS

ALA

PHE

2

GLU

SER

LEU

LYS

SER

PHE

GLN

3

GLN

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:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_2	isotropic	sample_conditions_1
2D 1H-13C CT HSQC	sample_2	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_2	isotropic	sample_conditions_2
3D HNCACB	sample_2	isotropic	sample_conditions_2
3D TOCSY-HSQC	sample_4	isotropic	sample_conditions_2
13CA SQ CPMG	sample_3	isotropic	sample_conditions_1
13CA SQ CPMG	sample_5	isotropic	sample_conditions_1
15N SQ CPMG	sample_3	isotropic	sample_conditions_1
15N SQ CPMG	sample_5	isotropic	sample_conditions_1
1HN PRE	sample_4	isotropic	sample_conditions_2
13CA SQ CPMG	sample_6	isotropic	sample_conditions_1
15N SQ CPMG	sample_6	isotropic	sample_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