› 3owx

X-ray diffraction
1.85Å resolution

X-ray Structural study of quinone reductase II inhibition by compounds with micromolar to nanomolar range IC50 values

Released:
DOI: 10.2210/pdb3owx/pdb
PDB entry 3owx coloured by chain, front view.
PDB entry 3owx coloured by chain, side view.
PDB entry 3owx coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
X-ray structural studies of quinone reductase 2 nanomolar range inhibitors.
Pegan SD, Sturdy M, Ferry G, Delagrange P, Boutin JA, Mesecar AD
Protein Sci 20 1182-95 (2011)
PMID: 21538647

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
Molecule details ›
Chains: A, B
Length: 231 amino acids
Theoretical weight: 25.98 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P16083 (Residues: 1-231; Coverage: 100%)
Gene names: NMOR2, NQO2
Sequence domains: Flavodoxin-like fold
Structure domains: Rossmann fold

Ligands and Environments


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

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 22-ID
Spacegroup: P212121
Unit cell:
a: 56.512Å b: 83.504Å c: 106.795Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.194 0.192 0.23
Expression system: Escherichia coli

Quick links

Citations

3 review citations

Quinone reductase 2 as a promising target of melatonin therapeutic actions.
Boutin JA. (2016)
2 more

2 mentions without citation

X-ray structural studies of quinone reductase 2 nanomolar range inhibitors.
Pegan et al. (2011)
1 more