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Structure of IDP01205

Crystal structure of putative 2,3-dihydroxybenzoate-specific isochorismate synthase, DhbC from Bacillus anthracis.

Edit deposit information
CSGID target
IDP01205 
PDB Id
3OS6 (NCBI MMDB
Authors
M.J.Domagalski,M.Chruszcz,T.Skarina,O.Onopriyenko,M.Cymborowski,A.Savchenko,A.Edwards,W.Anderson,W.Minor,Center For Structural Genomics Of Infectious Diseases (Csgid) 
Responsible person
Marcin Domagalski 
Responsible lab
University of Virginia 
Deposition Date
Sep 08, 2010 
Release Date
Oct 20, 2010 

Annotation

Description
dhbC gene is a member of the bacillibactin biosynthetic operon and encodes putative 2,3-dihydroxybenzoate-specific isochorismate synthase DhbC. In closely evolutionarily related species Bacillus subtilis, there are two distinct isochorismate synthase genes dhbC and menF involved in the biosynthesis of siderophore 2,3-dihydroxybenzoate (DHB) and the respiratory chain component menaquinone (MK). Studies of Rowland and Taber (Rowland and Taber 1996) showed that DhbC can compensate for the lack of MenF which is not true the other way around; moreover the depletion of dhbC results in the absence of DHB. Also, dhbC expression is strongly regulated by the presence of iron concentration, which is not a case for menF. Aforementioned studies show the importance of the dhbC in the siderophores biosynthesis. 
Functional assignment
biosynthesis of the siderophore bacillibactin 

Ligands

Ligand code Name Ligand type
GOL crystallization
SO4 crystallization
MSE modified residue
175 3,5-dihydro-5-methylidene-4h-imidazol-4-on

Structure information

Unit cell parameters

Space Group
P 21 3  
Unit Cell

a=201.39Å, b=201.39Å, c=201.39Å
α=90.00, β=90.00, γ=90.00 
Solvent content
67.48  
Matthews coefficient
3.78  

Refinement

Data for the highest resolution shell is in parentheses.
Resolution range
50.00-2.40Å (2.46-2.40Å)  
Rall(%)
17.3 
Rwork(%)
17.1 (22.9) 
Rfree(%)
21.2 (26.2) 
Num. observed reflections
99223 (4262) 
Num. Rfree reflections
4961 (225) 
Completeness(%)
93.8 (54.8) 

Model parameters

Num Atoms
11401  
Num Waters
763  
Num Hetatoms
1206  
Model mean isotropic B factor
44.410Å2  
RMSD bond length
0.018Å  
RMSD bond angle
1.711°  
Filename uploaded
rcsb061505.pdb (uploaded on Oct 14, 2010 7:49 PM)  
Inserted
Sep 08, 2010