BMRB Entry 34582

Name: Solution structure of A. thaliana core TatA in DHPC micelles
Published: 2021-01-25

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PDB ID: 7b7o
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR34582
MolProbity Validation Chart

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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:

Solution structure of A. thaliana core TatA in DHPC micelles

Deposition date:

2020-12-11

Original release date:

2021-01-25

Authors:

Pettersson, P.; Ye, W.; Jakob, M.; Tannert, F.; Klosgen, R.; Maler, L.

Citation:

Citation: Pettersson, P.; Ye, W.; Jakob, M.; Tannert, F.; Klosgen, R.; Maler, L.. "Structure and dynamics of plant TatA in micelles and lipid bilayers studied by solution NMR." FEBS J. 285, 1886-1906 (2018).
PubMed: 29654717

Assembly members:

Assembly members:
entity_1, polymer, 53 residues, 5535.536 Da.

Natural source:

Natural source: Common Name: Mouse-ear cress Taxonomy ID: 3702 Superkingdom: Eukaryota Kingdom: Viridiplantae Genus/species: Arabidopsis thaliana

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: ALFGLGVPELAVIAGVAALL FGPKKLPEIGKSIGKTVKSF QQAAKEFESELKT

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1
spectral_peak_list
- spectral_peak_list_1
- spectral_peak_list_2

Data type	Count
13C chemical shifts	226
15N chemical shifts	51
1H chemical shifts	312

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	unit_1	1

Entities:

Entity 1, unit_1 53 residues - 5535.536 Da.

1

ALA

LEU

PHE

GLY

LEU

GLY

VAL

PRO

GLU

LEU

2

ALA

VAL

ILE

ALA

GLY

VAL

ALA

LEU

3

PHE

GLY

PRO

LYS

LEU

PRO

GLU

ILE

GLY

4

LYS

SER

ILE

GLY

LYS

THR

VAL

LYS

SER

PHE

5

GLN

ALA

LYS

GLU

PHE

GLU

SER

GLU

6

LEU

LYS

THR

Samples:

sample_1: core AthTatA, [U-13C; U-15N], 200 uM; DHPC-d22 120 mM; sodium phosphate 20 mM

sample_2: core AthTatA, [U-15N], 200 uM; DHPC-d22 120 mM; sodium phosphate 20 mM

sample_conditions_1: ionic strength: 20 mM; pH: 6.5; pressure: 1 atm; temperature: 310 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_1
3D CBCANH	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HNCACO	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-15N TOCSY	sample_1	isotropic	sample_conditions_1
3D H(CCO)NH	sample_1	isotropic	sample_conditions_1
3D C(CO)NH	sample_1	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_1	isotropic	sample_conditions_1
3D HNHA	sample_2	isotropic	sample_conditions_1
3D 1H-15N TOCSY	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY	sample_1	isotropic	sample_conditions_1

Software:

CYANA, Guntert P., Guntert, Mumenthaler and Wuthrich - refinement, structure calculation

CcpNmr Analysis, CCPN - chemical shift assignment, peak picking

NMR spectrometers:

Bruker AVANCE 700 MHz
Bruker AVANCE 500 MHz
Bruker AVANCE 600 MHz

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