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Structure of IDP01325

Crystal structure of a putative organic hydroperoxide resistance protein with molecule of captopril bound in one of the active sites from Vibrio cholerae

Edit deposit information
CSGID target
IDP01325 
PDB Id
3LUS (NCBI MMDB
Authors
B.Nocek,N.Maltseva,M.Makowska-Grzyska,W.Anderson,A.Joachimiak 
Responsible person
Boguslaw Nocek 
Responsible lab
Argonne National Laboratory 
Deposition Date
Feb 18, 2010 
Release Date
Apr 21, 2010 

Annotation

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 the captopril molecule (3LUS). FOX assays confirmed that it metabolizes hydrogen peroxide. 
Functional assignment
OHR protein 

Ligands

Ligand code Name Ligand type
MSE selenomethionine modified residue
175 3,5-dihydro-5-methylidene-4h-imidazol-4-on biological

Structure information

Unit cell parameters

Space Group
P 21 21 21  
Unit Cell

a=38.20Å, b=76.20Å, c=79.40Å
α=90.00, β=90.00, γ=90.00 
Solvent content
34.08  
Matthews coefficient
1.87  

Refinement

Data for the highest resolution shell is in parentheses.
Resolution range
40.00-1.96Å (2.01-1.96Å)  
Rall(%)
17.3 
Rwork(%)
17.1 (20.8) 
Rfree(%)
22.7 (28.0) 
Num. observed reflections
17255 (1247) 
Num. Rfree reflections
880 (62) 
Completeness(%)
99.9 (99.5) 

Model parameters

Num Atoms
2217  
Num Waters
90  
Num Hetatoms
0  
Model mean isotropic B factor
13.990Å2  
RMSD bond length
0.022Å  
RMSD bond angle
1.758°  
Filename uploaded
1325-lig.pdb (uploaded on Mar 02, 2010 5:23 PM)  
Inserted
Mar 02, 2010