BMRB Entry 27943
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR27943
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Title: Backbone 1H, 13C, and 15N Chemical Shift Assignments of reduced human DJ-1 PubMed: 31377986
Deposition date: 2019-06-14 Original release date: 2019-08-26
Authors: Luchinat, Enrico; Barbieri, Letizia
Citation: Barbieri, Letizia; Luchinat, Enrico. "Backbone resonance assignment of human DJ-1 in the reduced state and in the cysteine sulfinic acid state" Biomol. NMR Assignments 13, 371-376 (2019).
Assembly members:
DJ-1, polymer, 189 residues, 19846.94 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: pET15b
Entity Sequences (FASTA):
DJ-1: SASKRALVILAKGAEEMETV
IPVDVMRRAGIKVTVAGLAG
KDPVQCSRDVVICPDASLED
AKKEGPYDVVVLPGGNLGAQ
NLSESAAVKEILKEQENRKG
LIAAICAGPTALLAHEIGFG
SKVTTHPLAKDKMMNGGHYT
YSENRVEKDGLILTSRGPGT
SFEFALAIVEALNGKEVAAQ
VKAPLVLKD
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 540 |
| 15N chemical shifts | 175 |
| 1H chemical shifts | 175 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | DJ-1 monomer reduced, 1 | 1 |
| 2 | DJ-1 monomer reduced, 2 | 1 |
Entities:
Entity 1, DJ-1 monomer reduced, 1 189 residues - 19846.94 Da.
Met1 is replaced by Ser1 as a leftover from the purification tag cleavage.
| 1 | SER | ALA | SER | LYS | ARG | ALA | LEU | VAL | ILE | LEU | ||||
| 2 | ALA | LYS | GLY | ALA | GLU | GLU | MET | GLU | THR | VAL | ||||
| 3 | ILE | PRO | VAL | ASP | VAL | MET | ARG | ARG | ALA | GLY | ||||
| 4 | ILE | LYS | VAL | THR | VAL | ALA | GLY | LEU | ALA | GLY | ||||
| 5 | LYS | ASP | PRO | VAL | GLN | CYS | SER | ARG | ASP | VAL | ||||
| 6 | VAL | ILE | CYS | PRO | ASP | ALA | SER | LEU | GLU | ASP | ||||
| 7 | ALA | LYS | LYS | GLU | GLY | PRO | TYR | ASP | VAL | VAL | ||||
| 8 | VAL | LEU | PRO | GLY | GLY | ASN | LEU | GLY | ALA | GLN | ||||
| 9 | ASN | LEU | SER | GLU | SER | ALA | ALA | VAL | LYS | GLU | ||||
| 10 | ILE | LEU | LYS | GLU | GLN | GLU | ASN | ARG | LYS | GLY | ||||
| 11 | LEU | ILE | ALA | ALA | ILE | CYS | ALA | GLY | PRO | THR | ||||
| 12 | ALA | LEU | LEU | ALA | HIS | GLU | ILE | GLY | PHE | GLY | ||||
| 13 | SER | LYS | VAL | THR | THR | HIS | PRO | LEU | ALA | LYS | ||||
| 14 | ASP | LYS | MET | MET | ASN | GLY | GLY | HIS | TYR | THR | ||||
| 15 | TYR | SER | GLU | ASN | ARG | VAL | GLU | LYS | ASP | GLY | ||||
| 16 | LEU | ILE | LEU | THR | SER | ARG | GLY | PRO | GLY | THR | ||||
| 17 | SER | PHE | GLU | PHE | ALA | LEU | ALA | ILE | VAL | GLU | ||||
| 18 | ALA | LEU | ASN | GLY | LYS | GLU | VAL | ALA | ALA | GLN | ||||
| 19 | VAL | LYS | ALA | PRO | LEU | VAL | LEU | LYS | ASP |
Samples:
sample_1: DJ-1, [U-13C; U-15N], 360 uM; DTT 5 mM; potassium phosphate 20 mM
sample_conditions_1: pH: 7.0; pressure: 1 atm; temperature: 310 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
Software:
TOPSPIN, Bruker Biospin - collection
CARA v1.9.1.7, Fred Damberger, Rochus Keller - chemical shift assignment
NMR spectrometers:
- Bruker Avance III 950 MHz
- Bruker Avance NEO 500 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts