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Structure of IDP01325

CRYSTAL STRUCTURE OF A PUTATIVE ORGANIC HYDROPEROXIDE RESISTANCE PROTEIN FROM VIBRIO CHOLERAE O1BIOVAR ELTOR STR. N16961

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CSGID target
IDP01325 
PDB Id
3I07 (NCBI MMDB) 
Authors
B.Nocek,N.Maltseva,K.Kwon,W.Anderson,A.Joachimiak 
Responsible person
Boguslaw Nocek 
Responsible lab
Argonne National Laboratory 
Deposition Date
Jun 24, 2009 
Release Date
Aug 11, 2009 

Annotation

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Description
The organic hydroperoxide resistance protein, thiol-dependent peroxidase that is a central player in response to stress induced by organic hydroperoxides in bacteria. It has unique three-dimensional structure and requires dithiols to support its activity. It forms an oval-shaped, tight homodimer and have two active site positioned on the opposite faces of the dimer. We have determined series of the structure of OHR-like protein from V. cholera and were able to reveal the enzymes structure in the reduce state (3I07), in the presence of captopril molecule (3LUS). FOX assays confirmed that it metabolizes hydrogen peroxide. 
Functional assignment
OHR 
Slides:
  • Asymmetric unit
  • Biological unit
  • B-factors distribution
  • B-factors distribution on the surface
  • Homolog superposition
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    secondary structure, N to C, molecule

    Ligands

    Ligand code Name Ligand type
    GOL glycerol
    MES 2-(n-morpholino)-ethanesulfonic acid

    Structure information

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    Unit cell parameters

    Space Group
    P 21 21 21  
    Unit Cell

    a=38.03Å, b=76.15Å, c=79.69Å
    α=90.00, β=90.00, γ=90.00  
    Solvent content
    34.58  
    Matthews coefficient
    1.88  

    Refinement

    Data for the highest resolution shell is in parentheses.
    Resolution range
    20.00-1.50Å (1.54-1.50Å)  
    Rall(%)
    17.0  
    Rwork(%)
    16.5 (23.1)  
    Rfree(%)
    18.5 (28.2)  
    Num. observed reflections
    35796 (1800)  
    Num. Rfree reflections
    1789 (104)  
    Completeness(%)
    95.1 (65.9)  

    Model parameters

    Num Atoms
    2180  
    Num Waters
    275  
    Num Hetatoms
    299  
    Model mean isotropic B factor (Å2)
    7.340  
    RMSD bond length (Å)
    0.012  
    RMSD bond angle
    1.425°  
    Filename uploaded
    3I07.pdb (uploaded on Sep 16, 2009 4:59 PM)  
    Inserted
    Jul 02, 2009