› 6llx

X-ray diffraction
1.58Å resolution

Discovery of A Dual Inhibitor of NQO1 and GSTP1 for Treating Malignant Glioblastoma

Released:
DOI: 10.2210/pdb6llx/pdb
PDB entry 6llx coloured by chain, front view.
PDB entry 6llx coloured by chain, side view.
PDB entry 6llx coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Discovery of a dual inhibitor of NQO1 and GSTP1 for treating glioblastoma.
Lei K, Gu X, Alvarado AG, Du Y, Luo S, Ahn EH, Kang SS, Ji B, Liu X, Mao H, Fu H, Kornblum HI, Jin L, Li H, Ye K
J Hematol Oncol 13 141 (2020)
PMID: 33087132

Function and Biology Details

Reaction catalysed: 
RX + glutathione = HX + R-S-glutathione
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-140591 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Glutathione S-transferase P Chains: A, B
Molecule details ›
Chains: A, B
Length: 215 amino acids
Theoretical weight: 23.89 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P09211 (Residues: 1-210; Coverage: 100%)
Gene names: FAEES3, GST3, GSTP1
Sequence domains:

Ligands and Environments


Cofactor: Ligand GSH 2 x GSH
1 bound ligand:
Ligand MES 2 x MES
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRF BEAMLINE BL17U
Spacegroup: P212121
Unit cell:
a: 69.655Å b: 82.179Å c: 89.324Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.201 0.2 0.223
Expression system: Escherichia coli

Quick links

Citations

6 review citations

Revisiting Platinum-Based Anticancer Drugs to Overcome Gliomas.
Jeon et al. (2021)
5 more

2 mentions without citation

Discovery of a dual inhibitor of NQO1 and GSTP1 for treating glioblastoma.
Lei et al. (2020)
1 more