› 7nmp

X-ray diffraction
1.25Å resolution

E. coli NfsA with hydroquinone

Released:
DOI: 10.2210/pdb7nmp/pdb
Model geometry
Fit model/data
PDB entry 7nmp coloured by chain, front view.
PDB entry 7nmp coloured by chain, side view.
PDB entry 7nmp coloured by chain, top view.
Source organism: Escherichia coli K-12
Primary publication:
The structures of E. coli NfsA bound to the antibiotic nitrofurantoin; to 1,4-benzoquinone and to FMN.
Day MA, Jarrom D, Christofferson AJ, Graziano AE, Anderson JLR, Searle PF, Hyde EI, White SA
OpenAccess logo Biochem J 478 2601-2617 (2021)
PMID: 34142705

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 FMN 1 x FMN
Ligand DMS 1 x DMS
Ligand EDO 3 x EDO
Ligand CL 1 x CL
Ligand HQE 1 x HQE
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: RIGAKU
Spacegroup: C2
Unit cell:
a: 91.985Å b: 52.022Å c: 64.77Å
α: 90° β: 134.16° γ: 90°
R-values:
R R work R free
0.125 0.123 0.155
Expression system: Escherichia coli BL21(DE3)

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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