› 7niy

X-ray diffraction
1.03Å resolution

Function and Biology Details

Biochemical function:
Biological process:
  • not assigned
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-147870 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Oxygen-insensitive NADPH nitroreductase Chain: A
Molecule details ›
Chain: A
Length: 240 amino acids
Theoretical weight: 26.83 KDa
Source organism: Escherichia coli K-12
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P17117 (Residues: 1-240; Coverage: 100%)
Gene names: JW0835, b0851, mda18, mdaA, nfsA, ybjB
Sequence domains: Nitroreductase family

Ligands and Environments

5 bound ligands:
Ligand HQE 2 x HQE
Ligand FMN 2 x FMN
Ligand EDO 2 x EDO
Ligand CL 1 x CL
Ligand IMD 2 x IMD
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID14-1
Spacegroup: C2
Unit cell:
a: 91.911Å b: 52.003Å c: 64.695Å
α: 90° β: 133.78° γ: 90°
R-values:
R R work R free
0.106 0.105 0.118
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

1 review citation

Single- and Two-Electron Reduction of Nitroaromatic Compounds by Flavoenzymes: Mechanisms and Implications for Cytotoxicity.
Čėnas et al. (2021)
6 other articles