› 4xdg

X-ray diffraction
1.5Å resolution

Crystal Structure of Quinone Reductase II in complex with 2-(4-aminophenyl)-5-methoxy-1-oxy-indol-3-one molecule

Released:
DOI: 10.2210/pdb4xdg/pdb
PDB entry 4xdg coloured by chain, front view.
PDB entry 4xdg coloured by chain, side view.
PDB entry 4xdg coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Role of Quinone Reductase 2 in the Antimalarial Properties of Indolone-Type Derivatives.
Cassagnes LE, Rakotoarivelo N, Sirigu S, Pério P, Najahi E, Chavas LM, Thompson A, Gayon R, Ferry G, Boutin JA, Valentin A, Reybier K, Nepveu F
Molecules 22 (2017)
PMID: 28146103

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
3 bound ligands:
Ligand ZN 2 x ZN
Ligand 3ZU 2 x 3ZU
Ligand SO4 3 x SO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SOLEIL BEAMLINE PROXIMA 1
Spacegroup: P212121
Unit cell:
a: 56.48Å b: 83.63Å c: 106.37Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.167 0.166 0.187
Expression system: Escherichia coli

Quick links

Citations

3 citation in other articles

An LC-MS Assay to Measure Superoxide Radicals and Hydrogen Peroxide in the Blood System.
Tsamesidis et al. (2020)
2 more

1 mention without citation

Role of Quinone Reductase 2 in the Antimalarial Properties of Indolone-Type Derivatives.
Cassagnes et al. (2017)