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Structure of IDP02771

Crystal Structure of Pantoate-beta-alanine Ligase from Francisella tularensis Complexed with Beta-gamma ATP and Beta-alanine.

Edit deposit information
CSGID target
IDP02771 
PDB Id
3QTT (NCBI MMDB
Authors
N.Maltseva,Y.Kim,K.Kwon,W.F.Anderson,A.Joachimiak,Center For Structural Genomics Of Infectious Diseases (Csgid) 
Responsible person
Natalia Maltseva 
Responsible lab
Argonne National Laboratory 
Deposition Date
Feb 23, 2011 
Release Date
Mar 23, 2011 

Annotation

Description
Pantoate-beta-alanine ligase (pantothenate synthase) participates in pantothenate biosynthesis pathway by catalyzing the formation of (R)-pantothenate from D-pantoate and beta-alanine. (R)-pantothenate is also called vitamin B5 or D-pantothenic acid. Micro-organisms and plants must synthesize pantothenate, while animals obtain this essential nutrient from their diet. Enzymes from pantothenate biosynthesis pathway offer targets for developing drugs against microbial pathogens. The crystal structure of Pantoate-beta-alanine ligase complexed with beta-gamma ATP and beta-alanine from Francisella tularensis subsp. tularensis SCHU S4 was solved to 2.6.A resolution.  
Functional assignment
 

Ligands

Ligand code Name Ligand type
ANP phosphoaminophosphonic acid-adenylate ester biological
MG biological
MSE modified residue
175 3,5-dihydro-5-methylidene-4h-imidazol-4-on

Structure information

Unit cell parameters

Space Group
P 43  
Unit Cell

a=47.15Å, b=47.15Å, c=257.66Å
α=90.00, β=90.00, γ=90.00 
Solvent content
 
Matthews coefficient
 

Refinement

Data for the highest resolution shell is in parentheses.
Resolution range
33.34-2.60Å (2.68-2.60Å)  
Rall(%)
17.7 
Rwork(%)
16.9 (24.9) 
Rfree(%)
25.1 (41.4) 
Num. observed reflections
18513 (1331) 
Num. Rfree reflections
1832 (131) 
Completeness(%)
97.8 (93.0) 

Model parameters

Num Atoms
4255  
Num Waters
106  
Num Hetatoms
202  
Model mean isotropic B factor
71.480Å2  
RMSD bond length
0.012Å  
RMSD bond angle
1.646°  
RMSD dihedral angle
18.96°
 
Filename uploaded
dep.pdb (uploaded on Feb 24, 2011 6:03 PM)  
Inserted
Feb 24, 2011