To see full content of that page you need the activeISee plugin.
Get the latest version from here.

Structure of IDP90523

Pantoate-beta-alanine ligase from Yersinia pestis in complex with adenosine monophosphate.

Edit deposit information
CSGID target
IDP90523 
PDB Id
3Q10 (NCBI MMDB
Authors
J.Osipiuk,N.Maltseva,K.Kwon,W.F.Anderson,A.Joachimiak,Center For Structural Genomics Of Infectious Diseases (Csgid) 
Responsible person
Jerzy Osipiuk 
Responsible lab
Argonne National Laboratory 
Deposition Date
Dec 16, 2010 
Release Date
Feb 02, 2011 

Annotation

Description
Pantoate-beta-alanine ligase, also known as panthotenate synthetase, catalyzes the formation of (R)-pantothenate from pantoate and beta-alanine which is the last step of pantothenate biosynthesis. The reaction is Mg2+-dependent. Pantothenate (vitamin B5) is a key precursor of the 4-phosphopantetheine moiety of coenzyme A (CoA) and the acyl carrier protein (ACP) which are essential for cell growth. Microorganisms and plants synthesize pantothenate, while animals obtain this nutrient from their diet. The pantothenate-biosynthetic pathway offers a potential target for the design of new drugs against microbial pathogens.  
Functional assignment
Ligase 

Ligands

Ligand code Name Ligand type
IMD crystallization
GOL crystallization
AMP biological
175 3,5-dihydro-5-methylidene-4h-imidazol-4-on

Structure information

Unit cell parameters

Space Group
P 1  
Unit Cell

a=44.81Å, b=77.24Å, c=98.46Å
α=101.33, β=94.91, γ=94.37 
Solvent content
52.37  
Matthews coefficient
2.58  

Refinement

Data for the highest resolution shell is in parentheses.
Resolution range
33.12-1.83Å (1.88-1.83Å)  
Rall(%)
17.6 
Rwork(%)
17.4 (26.7) 
Rfree(%)
21.1 (28.4) 
Num. observed reflections
109539 (7568) 
Num. Rfree reflections
5476 (364) 
Completeness(%)
96.4 (89.3) 

Model parameters

Num Atoms
9440  
Num Waters
698  
Num Hetatoms
0  
Model mean isotropic B factor
18.800Å2  
RMSD bond length
0.018Å  
RMSD bond angle
1.593°  
Filename uploaded
idp90523_amp.pdb (uploaded on Dec 16, 2010 2:41 PM)  
Inserted
Dec 16, 2010