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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 
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 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