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Structure of IDP90748

UDP-N-acetylglucosamine acyltransferase from Campylobacter jejuni.

Edit deposit information
CSGID target
IDP90748 
PDB Id
3R0S (NCBI MMDB
Authors
J.Osipiuk,M.Zhou,L.Papazisi,W.F.Anderson,A.Joachimiak,Center For Structural Genomics Of Infectious Diseases (Csgid) 
Responsible person
Jerzy Osipiuk 
Responsible lab
Argonne National Laboratory 
Deposition Date
Mar 08, 2011 
Release Date
Mar 23, 2011 

Annotation

Description
UDP-GlcNAc acyltransferase (LpxA) catalyzes the first step of lipid A biosynthesis, the transfer of R-3-hydroxymyristic acid from acyl carrier protein to the 3′-hydroxyl group of uridine diphosphate N-acetylglucosamine (UDP-GlcNAc). Lipid A, a phosphorylated glucosamine disaccharide carrying long-chain saturated fatty acids, is the hydrophobic anchor of lipopolysaccharide (LPS) to the outer monolayer of Gram-negative bacteria. Lipid A is a very potent stimulant of the human immune system. When present in the body at high concentrations during a Gram-negative bacterial infection, may cause shock and death by an "out of control" excessive immune reaction. Lipid A biosynthetic enzymes have no mammalian counterparts. Thus, they are attractive targets for the design of new antibiotics.  
Functional assignment
Transferase 

Ligands

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

Structure information

Unit cell parameters

Space Group
H 3 2  
Unit Cell

a=98.96Å, b=98.96Å, c=157.46Å
α=90.00, β=90.00, γ=120.00 
Solvent content
 
Matthews coefficient
 

Refinement

Data for the highest resolution shell is in parentheses.
Resolution range
41.40-2.30Å (2.36-2.30Å)  
Rall(%)
19.8 
Rwork(%)
19.6 (21.7) 
Rfree(%)
23.9 (31.2) 
Num. observed reflections
13358 (968) 
Num. Rfree reflections
654 (48) 
Completeness(%)
99.4 (99.0) 

Model parameters

Num Atoms
2032  
Num Waters
34  
Num Hetatoms
0  
Model mean isotropic B factor
43.930Å2  
RMSD bond length
0.019Å  
RMSD bond angle
1.585°  
Filename uploaded
idp90748.pdb (uploaded on Mar 08, 2011 7:44 PM)  
Inserted
Mar 08, 2011