› 7t5y

X-ray diffraction
2.62Å resolution

E. coli dihydroorotate dehydrogenase bound to the inhibitor HMNQ

Released:
DOI: 10.2210/pdb7t5y/pdb
PDB entry 7t5y coloured by chain, front view.
PDB entry 7t5y coloured by chain, side view.
PDB entry 7t5y coloured by chain, top view.
Source organism: Escherichia coli K-12
Primary publication:
Structural insights into inhibition of the drug target dihydroorotate dehydrogenase by bacterial hydroxyalkylquinolines.
Horwitz SM, Blue TC, Ambarian JA, Hoshino S, Seyedsayamdost MR, Davis KM
RSC Chem Biol 3 420-425 (2022)
PMID: 35441142

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:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-141587 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Dihydroorotate dehydrogenase (quinone) Chains: A, B
Molecule details ›
Chains: A, B
Length: 368 amino acids
Theoretical weight: 40.29 KDa
Source organism: Escherichia coli K-12
Expression system: Escherichia coli B
UniProt:
  • Canonical: P0A7E1 (Residues: 1-336; Coverage: 100%)
Gene names: JW0928, b0945, pyrD
Sequence domains: Dihydroorotate dehydrogenase

Ligands and Environments


Cofactor: Ligand FMN 2 x FMN
3 bound ligands:
Ligand F2D 2 x F2D
Ligand PO4 1 x PO4
Ligand ORO 2 x ORO
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 23-ID-B
Spacegroup: C2221
Unit cell:
a: 104.046Å b: 169.328Å c: 129.97Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.213 0.212 0.239
Expression system: Escherichia coli B

Quick links

Citations

1 citations in other articles

A bacterial quorum sensing signal is a potent inhibitor of de novo pyrimidine biosynthesis in the globally abundant Emiliania huxleyi.
Garrett et al. (2023)