› 3g0u

X-ray diffraction
2Å resolution

Human dihydroorotate dehydrogenase in complex with a leflunomide derivative inhibitor 4

Released:
DOI: 10.2210/pdb3g0u/pdb
PDB entry 3g0u coloured by chain, front view.
PDB entry 3g0u coloured by chain, side view.
PDB entry 3g0u coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structure-based design, synthesis, and characterization of inhibitors of human and Plasmodium falciparum dihydroorotate dehydrogenases.
Davies M, Heikkilä T, McConkey GA, Fishwick CW, Parsons MR, Johnson AP
J Med Chem 52 2683-93 (2009)
PMID: 19351152

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-554201 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Dihydroorotate dehydrogenase (quinone), mitochondrial Chain: A
Molecule details ›
Chain: A
Length: 367 amino acids
Theoretical weight: 39.86 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
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 ORO 1 x ORO
Ligand MDY 1 x MDY
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE BM14
Spacegroup: P3221
Unit cell:
a: 90.752Å b: 90.752Å c: 122.799Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.171 0.17 0.203
Expression system: Escherichia coli

Quick links

Citations

13 review citations

Plasmodium dihydroorotate dehydrogenase: a promising target for novel anti-malarial chemotherapy.
Phillips et al. (2010)
12 more

2 mentions without citation

Rational Design of Benzylidenehydrazinyl-Substituted Thiazole Derivatives as Potent Inhibitors of Human Dihydroorotate Dehydrogenase with in Vivo Anti-arthritic Activity.
Li et al. (2015)
1 more