BMRB Entry 50682

Name: 1H, 13C, 15N oxidized mitoNEET assignment
Published: 2022-02-10

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR50682

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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:

1H, 13C, 15N oxidized mitoNEET assignment

Deposition date:

2020-12-22

Original release date:

2022-02-10

Authors:

Gallo, Angelo; Camponeschi, Francesca; Piccioli, Mario; Banci, Lucia

Citation:

Citation: Camponeschi, Francesca; Gallo, Angelo; Piccioli, Mario; Banci, Lucia. "The long-standing relationship between paramagnetic NMR and iron-sulfur proteins: the mitoNEET example. An old method for new stories or the other way around?" Magn. Reson. 2, 203-221 (2021).

Assembly members:

Assembly members:
entity_1, polymer, 83 residues, Formula weight is not available
entity_FES, non-polymer, 175.820 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 Vector: pET151-D/TOPO

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GIDPFMKRFYVKDHRNKAMI NLHIQKDNPKIVHAFDMEDL GDKAVYCRCWRSKKFPFCDG AHTKHNEETGDNVGPLIIKK KET

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
15N chemical shifts	37
1H chemical shifts	37

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	mitoNEET	1
2	FES	2

Entities:

Entity 1, mitoNEET 83 residues - Formula weight is not available

The first residue is K and the original sequence numbering for this residue is number 32.

1

GLY

ILE

ASP

PRO

PHE

MET

LYS

ARG

PHE

TYR

2

VAL

LYS

ASP

HIS

ARG

ASN

LYS

ALA

MET

ILE

3

ASN

LEU

HIS

ILE

GLN

LYS

ASP

ASN

PRO

LYS

4

ILE

VAL

HIS

ALA

PHE

ASP

MET

GLU

ASP

LEU

5

GLY

ASP

LYS

ALA

VAL

TYR

CYS

ARG

CYS

TRP

6

ARG

SER

LYS

PHE

PRO

PHE

CYS

ASP

GLY

7

ALA

HIS

THR

LYS

HIS

ASN

GLU

THR

GLY

8

ASP

ASN

VAL

GLY

PRO

LEU

ILE

LYS

9

LYS

GLU

THR

Entity 2, FES - Fe2 S2 - 175.820 Da.

1

FES

Samples:

sample_1: mitoNEET oxidized, [U-13C; U-15N], 0.5 mM; D2O, [U-2H], 10%; H2O 90%; potassium phosphate 50 mM; K4Fe(CN)6 10 mM

sample_conditions_1: ionic strength: 60 mM; pH: 7.0; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D CBCANH	sample_1	isotropic	sample_conditions_1

Software:

TOPSPIN v3.2 - collection

TOPSPIN v3.2 - processing

CARA v1.9.2a4 - chemical shift assignment

NMR spectrometers:

Bruker AVANCE III 500 MHz

UNP	Q9NZ45
AlphaFold	Q1X902