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Nitroreductase from e-coli in complex with the dinitrobenzamide prodrug SN23862
1OO6
Primary Citation
 
 
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  •   Molecular Description Hide
    Classification: Oxidoreductase
    Structure Weight: 49489.79
    Molecule: Oxygen-insensitive NAD(P)H nitroreductase
    Polymer: 1 Type: protein Length: 217
    Chains: A, B
    EC#: 1.5.1.34   
    Organism Escherichia coli
    Gene Names nfnB dprA nfsB nfsI ntr b0578 JW0567
    UniProtKB:   Protein Feature View | Search PDB | P38489  
     
  •   Source Hide
    Polymer: 1
    Scientific Name: Escherichia coli   Taxonomy   Expression System: Escherichia coli k12  
     
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    Identifier Details
    1IDT  The same protein complexed with CB1954 
    1OO5  The same protein uncomplexed but with reduced FMN 
    1OON  The same protein complexed with SN27217 
    1OOQ  The same protein complexed with dicoumarol 
     
  •   Ligand Chemical Component Hide
    Identifier Formula Name Interactions
    FMN
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    FMN C17 H21 N4 O9 P
    FLAVIN MONONUCLEOTIDE
    FMN:1OO6
    SN2
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    SN2 C11 H12 Cl2 N4 O5
    5-[BIS-2(CHLORO-ETHYL)-AMINO]-2,4-DINTRO- BENZAMIDE
    SN2:1OO6
     
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  •   Structural Biology Knowledgebase Data Hide
     
 
Data in orange boxes are gathered from external resources (when available).
 
  Biological Assembly       
Biological assembly 1 assigned by authors and generated by PISA (software)
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  •   Deposition Summary Hide
    Authors:   Johansson, E.,  Parkinson, G.N.,  Denny, W.A.,  Neidle, S.

    Deposition:   2003-03-03
    Release:   2003-04-08
    Last Modified (REVDAT):   2009-02-24
     
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    2011-07-13
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  •   Experimental Details Hide
    Method:   X-RAY DIFFRACTION
    Exp. Data:
      Structure Factors
    EDS  
    Resolution[Å]:   2.00
    R-Value: 0.231 (obs.)
    R-Free: 0.286
    Space Group: P 41 21 2
    Unit Cell:
      Length [Å] Angles [°]
    a = 57.69 α = 90.00 
    b = 57.69 β = 90.00 
    c = 266.67 γ = 90.00