› 4cet

X-ray diffraction
2.2Å resolution

Crystal structure of the complex of the P187S variant of human NAD(P) H:quinone oxidoreductase with dicoumarol at 2.2 A resolution

Released:
DOI: 10.2210/pdb4cet/pdb
PDB entry 4cet coloured by chain, front view.
PDB entry 4cet coloured by chain, side view.
PDB entry 4cet coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Collapse of the native structure caused by a single amino acid exchange in human NAD(P)H:quinone oxidoreductase(1.).
Lienhart WD, Gudipati V, Uhl MK, Binter A, Pulido SA, Saf R, Zangger K, Gruber K, Macheroux P
FEBS J 281 4691-4704 (2014)
PMID: 25143260

Function and Biology Details

Reaction catalysed: 
NAD(P)H + a quinone = NAD(P)(+) + a hydroquinone
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-147405 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
NAD(P)H dehydrogenase [quinone] 1 Chain: A
Molecule details ›
Chain: A
Length: 294 amino acids
Theoretical weight: 33.07 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P15559 (Residues: 1-274; Coverage: 100%)
Gene names: DIA4, NMOR1, NQO1
Sequence domains: Flavodoxin-like fold
Structure domains: Rossmann fold

Ligands and Environments


Cofactor: Ligand FAD 1 x FAD
1 bound ligand:
Ligand DTC 1 x DTC
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ELETTRA BEAMLINE 5.2R
Spacegroup: P41212
Unit cell:
a: 51.05Å b: 51.05Å c: 169.04Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.178 0.176 0.224
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

7 review citations

Functions of NQO1 in Cellular Protection and CoQ10 Metabolism and its Potential Role as a Redox Sensitive Molecular Switch.
Ross et al. (2017)
6 more

2 mentions without citation

Collapse of the native structure caused by a single amino acid exchange in human NAD(P)H:quinone oxidoreductase(1.).
Lienhart et al. (2014)
1 more