BMRB Entry 51659

Name: Backbone Chemical Shift Assignments of human glutathione peroxidase 4 (GPx4)
Published: 2022-11-03

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51659

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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:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: DDWRCARSMHEFSAKDIDGH MVNLDKYRGFVCIVTNVASQ CGKTEVNYTQLVDLHARYAE CGLRILAFPCNQFGKQEPGS NEEIKEFAAGYNVKFDMFSK ICVNGDDAHPLWKWMKIQPK GKGILGNAIKWNFTKFLIDK NGCVVKRYGPMEEPLVIEKD LPHYF

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	268
15N chemical shifts	144
1H chemical shifts	144

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	GPX4	1

Entities:

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

1

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

ILE

LYS

GLU

PHE

ALA

GLY

10

TYR

ASN

VAL

LYS

PHE

ASP

MET

PHE

SER

LYS

11

ILE

CYS

VAL

ASN

GLY

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

LYS

ARG

TYR

GLY

PRO

16

MET

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