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Structure of IDP00581

Putative arsenate reductase from Yersinia pestis.

Edit deposit information
CSGID target
IDP00581 
PDB Id
3RDW (NCBI MMDB
Authors
J.Osipiuk,N.Maltseva,K.Kwon,W.F.Anderson,A.Joachimiak,Center For Structural Genomics Of Infectious Diseases (Csgid) 
Responsible person
Jerzy Osipiuk 
Responsible lab
Argonne National Laboratory 
Deposition Date
Apr 01, 2011 
Release Date
Apr 20, 2011 

Annotation

Description
Arsenic is a carcinogen associated with increased risk of skin, kidney, lung, and bladder cancer. The arsenic toxicity led to the evolution of arsenic defense mechanisms in every organism, from Escherichia coli to man. A putative arsenate reductase from Yersinia pestis shows 47.9% amino-acid identity to Escherichia coli arsenate reductase ArsC. ArsC is a part of bacterial system for the detoxification of arsenate, arsenite, and antimonite. Bacterial detoxification systems can transport arsenite and antimonite out of the cell. Arsenate, however, must first be reduced to arsenite by arsenate reductase before it is excreted. ArsC uses reduced glutathione (GSH) and glutaredoxin as source of reducing potential to convert arsenate to arsenite. Some arsenate reductases use thioredoxin instead of glutaredoxin in their reactions. 
Functional assignment
Reductase 

Ligands

Ligand code Name Ligand type
175 3,5-dihydro-5-methylidene-4h-imidazol-4-on

Structure information

Unit cell parameters

Space Group
C 1 2 1  
Unit Cell

a=132.17Å, b=28.66Å, c=70.12Å
α=90.00, β=102.87, γ=90.00 
Solvent content
 
Matthews coefficient
 

Refinement

Data for the highest resolution shell is in parentheses.
Resolution range
33.50-2.20Å (2.25-2.19Å)  
Rall(%)
20.2 
Rwork(%)
19.9 (20.5) 
Rfree(%)
26.3 (26.5) 
Num. observed reflections
13875 (913) 
Num. Rfree reflections
679 (48) 
Completeness(%)
97.7 (93.8) 

Model parameters

Num Atoms
1870  
Num Waters
54  
Num Hetatoms
59  
Model mean isotropic B factor
48.030Å2  
RMSD bond length
0.019Å  
RMSD bond angle
1.710°  
Filename uploaded
rcsb064810.pdb (uploaded on Apr 14, 2011 6:03 PM)  
Inserted
Apr 14, 2011