› 6cjf

X-ray diffraction
1.63Å resolution

Human dihydroorotate dehydrogenase bound to 4-quinoline carboxylic acid inhibitor 43

Released:
DOI: 10.2210/pdb6cjf/pdb
PDB entry 6cjf coloured by chain, front view.
PDB entry 6cjf coloured by chain, side view.
PDB entry 6cjf coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Design, Synthesis, and Biological Evaluation of 4-Quinoline Carboxylic Acids as Inhibitors of Dihydroorotate Dehydrogenase.
Madak JT, Cuthbertson CR, Miyata Y, Tamura S, Petrunak EM, Stuckey JA, Han Y, He M, Sun D, Showalter HD, Neamati N
J Med Chem 61 5162-5186 (2018)
PMID: 29727569

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-169672 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Dihydroorotate dehydrogenase (quinone), mitochondrial Chains: A, B
Molecule details ›
Chains: A, B
Length: 374 amino acids
Theoretical weight: 40.75 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: Q02127 (Residues: 32-395; Coverage: 92%)
Gene name: DHODH
Sequence domains: Dihydroorotate dehydrogenase
Structure domains: Aldolase class I

Ligands and Environments


Cofactor: Ligand FMN 2 x FMN
3 bound ligands:
Ligand ORO 2 x ORO
Ligand F54 2 x F54
Ligand ZWI 3 x ZWI
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-G
Spacegroup: P1
Unit cell:
a: 50.752Å b: 51.527Å c: 65.088Å
α: 89.15° β: 81.61° γ: 76.44°
R-values:
R R work R free
0.164 0.163 0.189
Expression system: Escherichia coli

Quick links

Citations

9 citation in other articles

New Quinoline-Based Heterocycles as Anticancer Agents Targeting Bcl-2.
Hamdy et al. (2019)
8 more

4 mentions without citation

Design, Synthesis, and Biological Evaluation of 4-Quinoline Carboxylic Acids as Inhibitors of Dihydroorotate Dehydrogenase.
Madak et al. (2018)
3 more