Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR53992

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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 and aliphatic side-chain chemical shift assignment for dGAE(297-391) tau

Deposition date:

2026-08-24

Original release date:

2026-08-27

Authors:

Kozelekova, Aneta; Crha, Radek; Kitoka, Kristine; Hofrova, Alena; Jaudzems, Kristaps; Hritz, Jozef

Citation:

Citation: Njemoga, Stefana; Jenner, Leon; Volko, Viliam; Polak, Adam; Fialova, Lubica; Augustin, Tomas; Hanes, Jozef; Skrabana, Rostislav; Kozelekova, Aneta; Ilkovicova, Lucia; Crha, Radek; Kaderavek, Pavel; Kovacech, Branislav; Hritz, Jozef; Cehlar, Ondrej. "Structure and epitope mapping of the conformational anti tau antibody DC11 Fab " .

Assembly members:

Assembly members:
entity_1, polymer, 96 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: pET-17b

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: MIKHVPGGGSVQIVYKPVDL SKVTSKCGSLGNIHHKPGGG QVEVKSEKLDFKDRVQSKIG SLDNITHVPGGGNKKIETHK LTFRENAKAKTDHGAE

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	388
15N chemical shifts	94
1H chemical shifts	616

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	dGAE	1

Entities:

Entity 1, dGAE 96 residues - Formula weight is not available

1

MET

ILE

LYS

HIS

VAL

PRO

GLY

SER

2

VAL

GLN

ILE

VAL

TYR

LYS

PRO

VAL

ASP

LEU

3

SER

LYS

VAL

THR

SER

LYS

CYS

GLY

SER

LEU

4

GLY

ASN

ILE

HIS

LYS

PRO

GLY

5

GLN

VAL

GLU

VAL

LYS

SER

GLU

LYS

LEU

ASP

6

PHE

LYS

ASP

ARG

VAL

GLN

SER

LYS

ILE

GLY

7

SER

LEU

ASP

ASN

ILE

THR

HIS

VAL

PRO

GLY

8

GLY

ASN

LYS

ILE

GLU

THR

HIS

LYS

9

LEU

THR

PHE

ARG

GLU

ASN

ALA

LYS

ALA

LYS

10

THR

ASP

HIS

GLY

ALA

GLU

Samples:

sample_1: dGAE, [U-13C; U-15N], 1 mM; D2O, [U-2H], 10%; sodium phosphate 50 mM; TCEP 5 mM

sample_conditions_1: ionic strength: 0.05 M; pH: 6.9; pressure: 1 atm; temperature: 293 K

Experiments:

Name	Sample	Sample state	Sample conditions
3D HNCO	sample_1	isotropic	sample_conditions_1
5D CACONCACO	sample_1	isotropic	sample_conditions_1
5D HC(CC-TOCSY)CACON	sample_1	isotropic	sample_conditions_1

Software:

TOPSPIN - collection

NMRFAM-SPARKY - chemical shift assignment, data analysis, peak picking

NMRPipe - processing

Cleaner3D - processing

Reduced - processing

NUFT - processing

NMR spectrometers:

Bruker AVANCE NEO 700 MHz

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

BMRB Entry 53992