› 3tzb

X-ray diffraction
2.19Å resolution

Quinone Oxidoreductase (NQ02) bound to NSC13000

Released:
DOI: 10.2210/pdb3tzb/pdb
PDB entry 3tzb coloured by chain, front view.
PDB entry 3tzb coloured by chain, side view.
PDB entry 3tzb coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
In silico screening reveals structurally diverse, nanomolar inhibitors of NQO2 that are functionally active in cells and can modulate NF-κB signaling.
Nolan KA, Dunstan MS, Caraher MC, Scott KA, Leys D, Stratford IJ
Mol Cancer Ther 11 194-203 (2012)
PMID: 22090421

Function and Biology Details

Reaction catalysed: 
1-(beta-D-ribofuranosyl)-1,4-dihydronicotinamide + a quinone = 1-(beta-D-ribofuranosyl)nicotinamide + a quinol
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-147595 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Ribosyldihydronicotinamide dehydrogenase [quinone] Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 230 amino acids
Theoretical weight: 25.85 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P16083 (Residues: 3-230; Coverage: 99%)
Gene names: NMOR2, NQO2
Sequence domains: Flavodoxin-like fold
Structure domains: Rossmann fold

Ligands and Environments


Cofactor: Ligand FAD 4 x FAD
2 bound ligands:
Ligand ZN 4 x ZN
Ligand AA 4 x AA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID23-1
Spacegroup: P1
Unit cell:
a: 50.62Å b: 62.101Å c: 78.506Å
α: 92.95° β: 90.1° γ: 110.45°
R-values:
R R work R free
0.171 0.167 0.232
Expression system: Escherichia coli

Quick links

Citations

3 review citations

Docking Screens for Novel Ligands Conferring New Biology.
Irwin et al. (2016)
2 more

2 mentions without citation

In silico screening reveals structurally diverse, nanomolar inhibitors of NQO2 that are functionally active in cells and can modulate NF-κB signaling.
Nolan et al. (2012)
1 more