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Structure of IDP00335

Crystal structure of glutamate racemase from Francisella tularensis subsp. tularensis SCHU S4 in complex with D-glutamate.

Edit deposit information
CSGID target
IDP00335 
PDB Id
3OUT (NCBI MMDB
Authors
E.V.Filippova,Z.Wawrzak,O.Onopriyenko,M.Kudriska,A.Edwards,A.Savchenko,F.W.Anderson,Center For Structural Genomics Of Infectious Diseases (Csgid) 
Responsible person
Ekaterina Filippova 
Responsible lab
Northwestern University 
Deposition Date
Sep 15, 2010 
Release Date
Sep 29, 2010 

Annotation

Description
D-Glutamic acid is a required biosynthetic building block for peptidoglycan, and the enzyme glutamate racemase (GluR) catalyzes the inter-conversion of D and L-glutamate enantiomers. Therefore, GluR is considered as an attractive target for the design of new antibacterial drugs. Here, we report the crystal structure of GluR from Francisella tularensis subsp. tularensis SCHU S4 in complex with D-glutamate, which provides a basis for designing narrow-spectrum antimicrobial agents.  
Functional assignment
Cell envelope, Biosynthesis and degradation of murein sacculus and peptidoglycan 

Ligands

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

Structure information

Unit cell parameters

Space Group
P 43 21 2  
Unit Cell

a=98.06Å, b=98.06Å, c=154.15Å
α=90.00, β=90.00, γ=90.00 
Solvent content
40.37  
Matthews coefficient
2.06  

Refinement

Data for the highest resolution shell is in parentheses.
Resolution range
25.22-1.65Å (1.69-1.65Å)  
Rall(%)
16.4 
Rwork(%)
16.3 (23.2) 
Rfree(%)
19.3 (27.2) 
Num. observed reflections
90648 (6621) 
Num. Rfree reflections
4532 (326) 
Completeness(%)
99.9 (99.7) 

Model parameters

Num Atoms
6194  
Num Waters
601  
Num Hetatoms
764  
Model mean isotropic B factor
12.400Å2  
RMSD bond length
0.017Å  
RMSD bond angle
1.537°  
Filename uploaded
rcsb061600.pdb (uploaded on Sep 17, 2010 12:54 PM)  
Inserted
Sep 17, 2010