BMRB Entry 50682
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR50682
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry
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: 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:
entity_1, polymer, 83 residues, Formula weight is not available
entity_FES, non-polymer, 175.820 Da.
Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET151-D/TOPO
Entity Sequences (FASTA):
entity_1: GIDPFMKRFYVKDHRNKAMI
NLHIQKDNPKIVHAFDMEDL
GDKAVYCRCWRSKKFPFCDG
AHTKHNEETGDNVGPLIIKK
KET
- assigned_chemical_shifts
| Data type | Count |
| 15N chemical shifts | 37 |
| 1H chemical shifts | 37 |
Additional metadata:
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 | LYS | PHE | PRO | PHE | CYS | ASP | GLY | ||||
| 7 | ALA | HIS | THR | LYS | HIS | ASN | GLU | GLU | THR | GLY | ||||
| 8 | ASP | ASN | VAL | GLY | PRO | LEU | ILE | ILE | LYS | 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
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts