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

    Title Crystal structure of Putative Nitroreductase (YP_322669.1) from ANABAENA VARIABILIS ATCC 29413 at 1.80 A resolution. To be published
    Site JCSG
    PDB Id 3eo7 Target Id 390460
    Molecular Characteristics
    Source Anabaena variabilis atcc 29413
    Alias Ids TPS14573,YP_322669.1,, 285560 Molecular Weight 57976.56 Da.
    Residues 510 Isoelectric Point 5.53
    Sequence mpeihqsiaqhyhertkydpetiasksqrldwakqpvpfkeykigsaidlkpylqetpevfvndtngqw wqrlsrllfrsygltarmpsmgntvylraapsagglypaevyvvsrgtpllspglynyqcrthslihyw esdvwqslqeacfwhpalestqlaiivtavfyrsawryedrayrricldtghllgnielsaaitdyrph liggfideavndllyidplqegaiavlpladlldiqqnispgctalpsatetnypqvpdgellkyfhhh tqisasitgklnlptviqeksledkynfpfclkistvsapiywgenlsdleitmhkrrstrayngeelt fdelkalldftyqpqnyidqsldnspdyfdlnlietfiavcgvqgleagcyyyapkaqelrqirfknfr relhflclgqelgrdaaavifhtsdlksaiaqygdrvyrylhmdaghlgqrlnlaaiqlnlgvsgiggf fddqvnevlgipndeaviyittlgrpr
      BLAST   FFAS

    Structure Determination
    Method XRAY Chains 1
    Resolution (Å) 1.80 Rfree 0.163
    Matthews' coefficent 3.16 Rfactor 0.137
    Waters 521 Solvent Content 61.09

    Ligand Information


    Google Scholar output for 3eo7

    Protein Summary

    Gene Ava_2154 from Anabaena variabilis atcc 29413 translates into the YP_322669 protein that shows a tandem repeat of the nitroreductase family (PF00881) domain. According to a Blast search, YP_322669 is a member of the FMN binding nitroreductase superfamily containing two copies of the mcbC-like oxidoreductase domain. All mcbC-like oxidoreductases are FMN-dependent enzyme that oxidize the product of the cyclization of thioesters in short polypeptides.  The function of the YP_322669 protein is unknown and most of its close sequence homologs are annotated as hypothetical proteins.

    The 3eo7 structure belongs to the NADH oxidase/flavin reductase family from SCOP. Structural similarity is found with the BF3017 protein 3hoi (Z=16), the oxidoreducatse 3hj9 (Z=15), the NAD(P)H-flavin oxidoreductases (PDB:2fre Z=12.2, rmsd 3.1A for 142 aligned CA atoms, TOPSAN page; and PDB:2hay Z=11.8, rmsd 3.2 A fr 143 aligned CA atoms, TOPSAN page) and also with the nitroreducatase PDB:1ywq Z=11.7, rmsd 3.0A for 144 aligned CA atoms, TOPSAN page) according to a DALI search.


    Figure 1. Overall structure of 3eo7. FMN is shown as spheres.


    Figure 2. Superposition of 2fre(cyan) with 3eo7(green) showing the FMN bound molecules. Please notice that only one FMN binding site is found occupied in 3eo7 (green) whereas two FMN molecules sit on 2fre (cyan), shown as spheres.

    Ligand Summary

    One FMN monomer is modeled based on the presence of clear and conclusive electron density.
    See Protein Summary for details.




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