BMRB Entry 51659
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51659
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Title: Backbone Chemical Shift Assignments of human glutathione peroxidase 4 (GPx4) PubMed: 36423641
Deposition date: 2022-10-09 Original release date: 2022-11-03
Authors: Liu, Hengrui
Citation: Liu, Hengrui; Forouhar, Farhad; Lin, Annie; Wang, Qian; Polychronidou, Vasiliki; Soni, Rajesh; Xin, Xin; Stockwell, Brent. "Small-molecule allosteric inhibitors of GPX4" Cell Chem. Bio. 29, 1680-11693 (2022).
Assembly members:
entity_1, polymer, 165 residues, Formula weight is not available
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: pET-15b
Entity Sequences (FASTA):
entity_1: DDWRCARSMHEFSAKDIDGH
MVNLDKYRGFVCIVTNVASQ
CGKTEVNYTQLVDLHARYAE
CGLRILAFPCNQFGKQEPGS
NEEIKEFAAGYNVKFDMFSK
ICVNGDDAHPLWKWMKIQPK
GKGILGNAIKWNFTKFLIDK
NGCVVKRYGPMEEPLVIEKD
LPHYF
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 268 |
| 15N chemical shifts | 144 |
| 1H chemical shifts | 144 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | GPX4 | 1 |
Entities:
Entity 1, GPX4 165 residues - Formula weight is not available
| 1 | ASP | ASP | TRP | ARG | CYS | ALA | ARG | SER | MET | HIS | ||||
| 2 | GLU | PHE | SER | ALA | LYS | ASP | ILE | ASP | GLY | HIS | ||||
| 3 | MET | VAL | ASN | LEU | ASP | LYS | TYR | ARG | GLY | PHE | ||||
| 4 | VAL | CYS | ILE | VAL | THR | ASN | VAL | ALA | SER | GLN | ||||
| 5 | CYS | GLY | LYS | THR | GLU | VAL | ASN | TYR | THR | GLN | ||||
| 6 | LEU | VAL | ASP | LEU | HIS | ALA | ARG | TYR | ALA | GLU | ||||
| 7 | CYS | GLY | LEU | ARG | ILE | LEU | ALA | PHE | PRO | CYS | ||||
| 8 | ASN | GLN | PHE | GLY | LYS | GLN | GLU | PRO | GLY | SER | ||||
| 9 | ASN | GLU | GLU | ILE | LYS | GLU | PHE | ALA | ALA | GLY | ||||
| 10 | TYR | ASN | VAL | LYS | PHE | ASP | MET | PHE | SER | LYS | ||||
| 11 | ILE | CYS | VAL | ASN | GLY | ASP | ASP | ALA | HIS | PRO | ||||
| 12 | LEU | TRP | LYS | TRP | MET | LYS | ILE | GLN | PRO | LYS | ||||
| 13 | GLY | LYS | GLY | ILE | LEU | GLY | ASN | ALA | ILE | LYS | ||||
| 14 | TRP | ASN | PHE | THR | LYS | PHE | LEU | ILE | ASP | LYS | ||||
| 15 | ASN | GLY | CYS | VAL | VAL | LYS | ARG | TYR | GLY | PRO | ||||
| 16 | MET | GLU | GLU | PRO | LEU | VAL | ILE | GLU | LYS | ASP | ||||
| 17 | LEU | PRO | HIS | TYR | PHE |
Samples:
sample_1: GPX4, [U-100% 13C; U-100% 15N], 50 uM; MES 100 mM; TCEP 5 mM
sample_conditions_1: pH: 6.5; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
Software:
CcpNMR v3.0 - chemical shift assignment
NMR spectrometers:
- Bruker AVANCE III 700 MHz MHz
Related Database Links:
| NCBI | NP_001354761.1 |
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts