BMRB Entry 26964

Name: Backbone 1H, 13C, and 15N Chemical Shift Assignments for an Exon-1 Fragment of Huntingtin at pH = 1.7 and T = 25 C.
Published: 2016-12-29

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR26964

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

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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.

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:

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).
PubMed: 28085263

Assembly members:

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

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 Vector: pJexpress411

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Htt: MATLEKLMKAFESLKSFQQQ QQQQQQQQQQQQQQPPPPPP LECHHHHHH

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	96
15N chemical shifts	32
1H chemical shifts	32

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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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

3

GLN

4

GLN

PRO

5

LEU

GLU

CYS

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 HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks