BMRB Entry 51659

Title:
Backbone Chemical Shift Assignments of human glutathione peroxidase 4 (GPx4)
Deposition date:
2022-10-09
Original release date:
2022-11-03
Authors:
Liu, Hengrui
Citation:

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).
PubMed: 36423641

Assembly members:

Assembly members:
entity_1, polymer, 165 residues, Formula weight is not available

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: pET-15b

Data sets:
Data typeCount
13C chemical shifts268
15N chemical shifts144
1H chemical shifts144

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1GPX41

Entities:

Entity 1, GPX4 165 residues - Formula weight is not available

1   ASPASPTRPARGCYSALAARGSERMETHIS
2   GLUPHESERALALYSASPILEASPGLYHIS
3   METVALASNLEUASPLYSTYRARGGLYPHE
4   VALCYSILEVALTHRASNVALALASERGLN
5   CYSGLYLYSTHRGLUVALASNTYRTHRGLN
6   LEUVALASPLEUHISALAARGTYRALAGLU
7   CYSGLYLEUARGILELEUALAPHEPROCYS
8   ASNGLNPHEGLYLYSGLNGLUPROGLYSER
9   ASNGLUGLUILELYSGLUPHEALAALAGLY
10   TYRASNVALLYSPHEASPMETPHESERLYS
11   ILECYSVALASNGLYASPASPALAHISPRO
12   LEUTRPLYSTRPMETLYSILEGLNPROLYS
13   GLYLYSGLYILELEUGLYASNALAILELYS
14   TRPASNPHETHRLYSPHELEUILEASPLYS
15   ASNGLYCYSVALVALLYSARGTYRGLYPRO
16   METGLUGLUPROLEUVALILEGLULYSASP
17   LEUPROHISTYRPHE

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:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_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 peaks
SPARKY: Backbone or all simulated peaks