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    Table of contents
    1. 1. Protein Summary
    2. 2. Ligand Summary

    Title Crystal structure of Putative NADH dehydrogenase/NAD(P)H nitroreductase (NP_809094.1) from BACTEROIDES THETAIOTAOMICRON VPI-5482 at 1.54 A resolution. To be published
    Site JCSG
    PDB Id 3kwk Target Id 396185
    Molecular Characteristics
    Source Bacteroides thetaiotaomicron vpi-5482
    Alias Ids TPS25861,NP_809094.1,, 326089 Molecular Weight 19535.41 Da.
    Residues 174 Isoelectric Point 8.68
    Sequence ekgttgtgnaaldniferksvrtylnkgvekekidlmlragmsapsgkdvrpwefvvvsdrakldsmaa alpyakmltqarnaiivcgdsarsfywyldcsaaaqnillaaesmglgavwtaaypyedrmevvrkyth lpenilplcvipfgypatkeqpkqkydekkihynqy
      BLAST   FFAS

    Structure Determination
    Method XRAY Chains 1
    Resolution (Å) 1.54 Rfree 0.176
    Matthews' coefficent 2.09 Rfactor 0.146
    Waters 276 Solvent Content 41.15

    Ligand Information


    Google Scholar output for 3kwk

    Protein Summary

    Gene BT_0181 from Bacteriodes thetaiotaomicron vpi-5482 encodes the NP_809094 protein that belongs to the nitroreductase Pfam family ( PF00881 ). The uniprot reference id is  Q8ABC9_BACTN

    SCOP classifies 3kwk in the alpha+beta class, FMN-dependent nitroreductase-like superfamily, NADH oxidase/flavin reductase family. According to a DALI search, 3kwk shows high similarity with nitroreductase structures 3e39 (Z=21) and  3e10 (Z=24), followed by 3ge5 (Z=20) and 3koq (Z=19).



    3kwk is a monomer in the crystal structure and its crystal packing analysis suggests that it should be a dimer in solution. A flavin mononucleotide (FMN) molecule is modeled at the putative active site with clear density, even it was not in the crystallization condition.

    Ligand Summary




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    Files (2)

    FileSizeDateAttached by 
    105.65 kB22:18, 25 Jun 2009lduanActions
    FMN and residues within 4A
    208.52 kB22:18, 25 Jun 2009lduanActions
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