Nitroreductase

spinqualitylabelsall models E. coli nitroreductase dimer containing FMN and nicotinic acid (PDB entry 1icr) Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Function Nitroreductase (NR) is involved in the reduction of nitrogen-containing compounds including those containing NO2 group. The NO2 group is reduced to hydroxylamine. NR uses FMN as cofactor. Among NRs are the oxygen-insensitive NAD(P)H NR and NADH dehydrogenase. Relevance NR is of special interest due to its potential use as activator of prodrugs in cancer therapy. Structural highlights NR cofactor FMN is bound directly to one subunit while the ligand - nicotinic acid - interacts with both subunits. Water molecules shown as red spheres.

3D structures of nitroreductase

Updated on 31-May-2016

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• Nitroreductase
  • 1f5v, 1oo5 – EcNR – Escherichia coli
    
  • 3bm1, 1ds7 – EcNR minimal
    
  • 3bm2 – EcNR minimal -FMN
    
  • 1nec, 1kqd – EclNR – Enterobacter cloacae
    
  • 1ywq, 2i7h – NR – Bacillus cereus
    
  • 2b67 – NR – Streptococcus pneumonia
    
  • 3ek3, 3hoi – NR – Bacterioides fragilis
    
  • 3g14 – NR – Clostridium novyi
    
  • 3h4o, 3koq - NR – Clostridium difficile
    
  • 3gr3 – NR – Bartonella henselae
    
  • 3hzn – NR – Salmonella typhimurium
    
  • 3k6h – NR – Agrobacterium tumefaciens
    
  • 2wzv, 2ymv – MsNR – Mycobacterium smegmatis
    
  • 3of4 – NR FMN/FAD – Idiomarina loihiensis
    
  • 3n2s – NR – Bacillus subtilis
    
  • 3pxv – NR – Desulfitobacterium hafniense
    
  • 3qdl – NR – Helicobacter pylori
    
  • 3r5l, 3r5p - MtNR – Mycobacterium tuberculosis
    
  • 3r5r, 3r5w – MtNR F420
    
  • 3ge6 – NR – Exiguobacterium sibiricum
    
  • 4dn2 – NR – Geobacter metallireducens
    
• Copper-induced nitroreductase
  • 2wqf – LlNR – Lactococcus lactis
    
  • 4bn6 – LlNR + chloramphenicol
    
  • 4bn7, 4bn8 – LlNR + phenol derivative
    
  • 4bn9 – LlNR + nicotinic acid
    
  • 4bnb – LlNR + nitroquinoline
    
• Nitroreductase binary complex
  • 1kqb – EclNR + benzoate
    
  • 1kqc – EclNR + acetate
    
  • 1ylr, 1ylu - EcNR + acetate
    
  • 1icr, 1icu, 1icv – EcNR + nicotinic acid
    
  • 1ooq – EcNR + dicoumarol
    
  • 1oo6, 1oon, 1idt – EcNR + benzamide derivative
    
  • 1yki – EcNR + antibiotic
    
  • 2wzw - MsNR + NADPH

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Michal Harel, Alexander Berchansky, Joel L. Sussman