2fpy

X-ray diffraction
2Å resolution

Dual binding mode of a novel series of DHODH inhibitors

Released:
Source organism: Homo sapiens

Function and Biology Details

Reaction catalysed:
(S)-dihydroorotate + a quinone = orotate + a quinol

Structure analysis Details

Assembly composition:
monomeric (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Dihydroorotate dehydrogenase (quinone), mitochondrial Chain: A
Molecule details ›
Chain: A
Length: 395 amino acids
Theoretical weight: 43.22 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
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: MPG/DESY, HAMBURG BEAMLINE BW6
Spacegroup: P3221
Unit cell:
a: 90.295Å b: 90.295Å c: 122.695Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.181 0.181 0.2
Expression system: Escherichia coli BL21(DE3)