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Structure of IDP00118

2.4 Angstrom Crystal Structure of Ferric Enterobactin Esterase (fes) from Salmonella typhimurium.

Edit deposit information
CSGID target
IDP00118 
PDB Id
3MGA (NCBI MMDB
Authors
G.Minasov,Z.Wawrzak,T.Skarina,O.Onopriyenko,L.Papazisi,A.Savchenko,W.F.Anderson,Center For Structural Genomics Of Infectious Diseases (Csgid) 
Responsible person
George Minasov 
Responsible lab
Northwestern University 
Deposition Date
Apr 05, 2010 
Release Date
Apr 21, 2010 

Annotation

Description
The siderophore enterobactin (Ent) is produced by many species of enteric bacteria to mediate iron uptake. This iron scavenger can be reincorporated by the bacteria as the ferric complex [Fe(III)(Ent)](3)(-) and is subsequently hydrolyzed by an esterase to facilitate intracellular iron release. Recent literature reports on altered protein recognition and binding of modified enterobactin increase the significance of understanding the structural features and solution chemistry of ferric enterobactin. Here we report the crystal structure of Ferric enterobactin esterase (Fes) from Salmonella enterica subsp. enterica serovar Typhimurium str. LT2. The results provide a structural framework for understanding structural features of iron enterobactin regulation. 
Functional assignment
Transport and binding proteins; subcategory: Cations and iron carrying compounds 

Ligands

Ligand code Name Ligand type
CL
GOL
PEG
MG
NA Sodium ion
MSE modified residue

Structure information

Unit cell parameters

Space Group
P 1 21 1  
Unit Cell

a=52.49Å, b=125.55Å, c=66.61Å
α=90.00, β=91.43, γ=90.00 
Solvent content
48.13  
Matthews coefficient
2.37  

Refinement

Data for the highest resolution shell is in parentheses.
Resolution range
29.55-2.40Å (2.46-2.40Å)  
Rall(%)
19.1 
Rwork(%)
18.9 (23.1) 
Rfree(%)
24.5 (30.0) 
Num. observed reflections
33201 (2413) 
Num. Rfree reflections
1693 (114) 
Completeness(%)
98.6 (97.8) 

Model parameters

Num Atoms
6331  
Num Waters
183  
Num Hetatoms
341  
Model mean isotropic B factor
49.680Å2  
RMSD bond length
0.008Å  
RMSD bond angle
1.282°  
Filename uploaded
rcsb058508.pdb (uploaded on Apr 16, 2010 5:10 PM)  
Inserted
Apr 16, 2010