› 4yqe

X-ray diffraction
1.33Å resolution

Crystal structure of E. coli WrbA in complex with benzoquinone

Released:
DOI: 10.2210/pdb4yqe/pdb
PDB entry 4yqe coloured by chain, front view.
PDB entry 4yqe coloured by chain, side view.
PDB entry 4yqe coloured by chain, top view.
Source organism: Escherichia coli K-12
Primary publication:
Quantum Calculations Indicate Effective Electron Transfer between FMN and Benzoquinone in a New Crystal Structure of Escherichia coli WrbA.
Degtjarik O, Brynda J, Ettrichova O, Kuty M, Sinha D, Kuta Smatanova I, Carey J, Ettrich R, Řeha D
J Phys Chem B 120 4867-77 (2016)
PMID: 27183467

Function and Biology Details

Reaction catalysed: 
NAD(P)H + a quinone = NAD(P)(+) + a hydroquinone
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-141698 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
NAD(P)H dehydrogenase (quinone) Chains: A, B
Molecule details ›
Chains: A, B
Length: 197 amino acids
Theoretical weight: 20.75 KDa
Source organism: Escherichia coli K-12
Expression system: Escherichia coli
UniProt:
  • Canonical: P0A8G6 (Residues: 2-198; Coverage: 100%)
Gene names: JW0989, b1004, wrbA
Sequence domains: NADPH-dependent FMN reductase
Structure domains: Rossmann fold

Ligands and Environments


Cofactor: Ligand FMN 2 x FMN
1 bound ligand:
Ligand PLQ 2 x PLQ
1 modified residue:
Ligand MHO 2 x MHO

Experiments and Validation Details

Entry percentile scores
X-ray source: BESSY BEAMLINE 14.1
Spacegroup: P41212
Unit cell:
a: 61.179Å b: 61.179Å c: 169.992Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.127 0.125 0.161
Expression system: Escherichia coli

Quick links

Citations

1 citations in other articles

Identification of a Small Molecule Anti-biofilm Agent Against Salmonella enterica.
Moshiri et al. (2018)

2 mentions without citation

Mechanistic Insights into the Antibiofilm Mode of Action of Ellagic Acid.
Ratti et al. (2023)
1 more