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Structure of IDP00640

Crystal Structure of Rhodanese-like Domain Protein from Staphylococcus aureus

Edit deposit information
CSGID target
IDP00640 
PDB Id
3MZZ (NCBI MMDB
Authors
'Y.Kim,M.Chruszcz,W.Minor,A.Edwards,W.F.Anderson,A.Joachimiak,Center For Structural Genomics Of Infectious Diseases (Csgid)' 
Responsible person
Youngchang Kim 
Responsible lab
Argonne National Laboratory 
Deposition Date
May 13, 2010 
Release Date
Jun 30, 2010 

Annotation

Description
The rhodandese-like domain from Staphylococcus aureu is a small alpha/beta/alpha sandwich with a 4-parallel beta stranded sheet surrounded by four small alpha-helices. With a beta-mercaptoethanol covalently bound to a potential catalytic residue Cys-63 in the crystal structure, this protein functions as an oxidoreductase reminiscent of a rhodanese, a mitochondrial enzyme which detoxifies cyanide (CN-) by converting it to thiocyanate (SCN-).  
Functional assignment
oxidoreductase 

Ligands

Ligand code Name Ligand type
MSE selenomethionine modified residue

Structure information

Unit cell parameters

Space Group
P 21 21 21  
Unit Cell

a=41.41Å, b=51.99Å, c=58.97Å
α=90.00, β=90.00, γ=90.00 
Solvent content
55.28  
Matthews coefficient
2.75  

Refinement

Data for the highest resolution shell is in parentheses.
Resolution range
15.62-2.00Å (2.05-2.00Å)  
Rall(%)
15.8 
Rwork(%)
15.6 (20.7) 
Rfree(%)
19.9 (25.7) 
Num. observed reflections
8987 (626) 
Num. Rfree reflections
431 (37) 
Completeness(%)
99.8 (99.8) 

Model parameters

Num Atoms
916  
Num Waters
93  
Num Hetatoms
0  
Model mean isotropic B factor
15.160Å2  
RMSD bond length
0.019Å  
RMSD bond angle
1.505°  
RMSD dihedral angle
16.65°
 
Filename uploaded
dep3w.pdb (uploaded on May 13, 2010 1:26 PM)  
Inserted
Sep 03, 2009