› 2b0m

X-ray diffraction
2Å resolution

Human dihydroorotate dehydrogenase bound to a novel inhibitor

Released:
DOI: 10.2210/pdb2b0m/pdb
PDB entry 2b0m coloured by chain, front view.
PDB entry 2b0m coloured by chain, side view.
PDB entry 2b0m coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Brequinar derivatives and species-specific drug design for dihydroorotate dehydrogenase.
Hurt DE, Sutton AE, Clardy J
Bioorg Med Chem Lett 16 1610-5 (2006)
PMID: 16406782

Function and Biology Details

Reaction catalysed: 
(S)-dihydroorotate + a quinone = orotate + a quinol
Biochemical function:
Biological process:
Cellular component:
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-169672 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Dihydroorotate dehydrogenase (quinone), mitochondrial Chain: A
Molecule details ›
Chain: A
Length: 393 amino acids
Theoretical weight: 43.01 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q02127 (Residues: 29-395; Coverage: 93%)
Gene name: DHODH
Sequence domains: Dihydroorotate dehydrogenase
Structure domains: Aldolase class I

Ligands and Environments


Cofactor: Ligand FMN 1 x FMN
2 bound ligands:
Ligand 201 1 x 201
Ligand ORO 1 x ORO
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: CHESS BEAMLINE F2
Spacegroup: P3221
Unit cell:
a: 90.398Å b: 90.398Å c: 123.332Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.218 0.218 0.249
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

2 review citations

DHODH and cancer: promising prospects to be explored.
Zhou et al. (2021)
1 more

3 mentions without citation

Inhibition of pyrimidine synthesis reverses viral virulence factor-mediated block of mRNA nuclear export.
Zhang et al. (2012)
2 more