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 

Structure information

Unit cell parameters

Space Group

P 1  

Unit Cell

a=44.73Å, b=77.05Å, c=98.76Å
α=100.67, β=95.33, γ=94.43 

Solvent content

52.39  

Matthews coefficient

2.58  

Refinement

Data for the highest resolution shell is in parentheses.

Resolution range

36.69-1.58Å (1.62-1.58Å)  

R_all(%)

15.2 

R_work(%)

15.0 (27.2) 

R_free(%)

19.5 (33.9) 

Num. observed reflections

153765 (5417) 

Num. R_free reflections

7688 (271) 

Completeness(%)

87.2 (41.5) 

Model parameters

Num Atoms

10600  

Num Waters

1154  

Num Hetatoms

0  

Model mean isotropic B factor

21.120Ų  

RMSD bond length

0.018Å  

RMSD bond angle

1.668°  

Filename uploaded

idp90523_paf.pdb (uploaded on Dec 16, 2010 4:54 PM)  

Inserted

Dec 16, 2010