BMRB Entry 34825

Name: Solution NMR structure of D. melanogaster TotA
Published: 2024-04-10

Click here to enlarge.

PDB ID: 8pbv
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR34825
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:

Solution NMR structure of D. melanogaster TotA

Deposition date:

2023-06-09

Original release date:

2024-04-10

Authors:

Abriata, L.

Citation:

Citation: Abriata, L.; Rommelaere, S.; Lemaitre, B.. "Solution NMR structure of D. melanogaster TotA" .

Assembly members:

Assembly members:
entity_1, polymer, 116 residues, 12989.512 Da.

Natural source:

Natural source: Common Name: fruit fly Taxonomy ID: 7227 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Drosophila melanogaster

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: MGYSDEDREADNLRIAEIIK NAQDDDSKINSTQELLDIYR RLYPSLTPEERESIDKFVNE HTDAIIIDGVPIQGGRKARI VGKIVSPGVKGLATGFFEEL GSKLAQLFAGENLYFQ

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	324
15N chemical shifts	108
1H chemical shifts	358

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
Hide all

Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	unit_1	1

Entities:

Entity 1, unit_1 116 residues - 12989.512 Da.

1

MET

GLY

TYR

SER

ASP

GLU

ASP

ARG

GLU

ALA

2

ASP

ASN

LEU

ARG

ILE

ALA

GLU

ILE

LYS

3

ASN

ALA

GLN

ASP

SER

LYS

ILE

ASN

4

SER

THR

GLN

GLU

LEU

ASP

ILE

TYR

ARG

5

ARG

LEU

TYR

PRO

SER

LEU

THR

PRO

GLU

6

ARG

GLU

SER

ILE

ASP

LYS

PHE

VAL

ASN

GLU

7

HIS

THR

ASP

ALA

ILE

ASP

GLY

VAL

8

PRO

ILE

GLN

GLY

ARG

LYS

ALA

ARG

ILE

9

VAL

GLY

LYS

ILE

VAL

SER

PRO

GLY

VAL

LYS

10

GLY

LEU

ALA

THR

GLY

PHE

GLU

LEU

11

GLY

SER

LYS

LEU

ALA

GLN

LEU

PHE

ALA

GLY

12

GLU

ASN

LEU

TYR

PHE

GLN

Samples:

sample_1: D. melanogaster TotA, [U-15N], 0.9 mM; Mes pH 6 20 mM; sodium chloride 100 mM

sample_2: D. melanogaster TotA, [U-13C; U-15N], 0.9 mM; Mes pH 6 20 mM; sodium chloride 100 mM

sample_3: D. melanogaster TotA 0.9 mM; Mes pH 6 20 mM; sodium chloride 100 mM

sample_conditions_1: ionic strength: 100 mM; pH: 6; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_3	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_3	isotropic	sample_conditions_1
3D 1H-15N TOCSY	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_2	isotropic	sample_conditions_1
3D HN(CO)CA	sample_2	isotropic	sample_conditions_1
3D HNCO	sample_2	isotropic	sample_conditions_1
3D HNHA	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_2	isotropic	sample_conditions_1
3D HNCACB	sample_2	isotropic	sample_conditions_1
3D 1H-13C NOESY	sample_2	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_2	isotropic	sample_conditions_1

Software:

TopSpin, Bruker Biospin - collection

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

UNIO, T. Herrmann - peak picking

CARA, Keller and Wuthrich - chemical shift assignment

NMR spectrometers:

Bruker AVANCE NEO 800 MHz

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