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 glycerol crystallization
AMP ADENOSINE MONOPHOSPHATE 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