Annotation

Description

This enzyme IspF is a part of isoprenoid precursor biosynthesis and catalyzes the reaction synthesizing 2-C-methyl-D-erythritol 2,4-cyclodiphosphate from 2-phospho-4-(cytidine 5'-diphospho)-2-C-methyl-D-erythritol. As isoprenoid precursor biosynthesis occurs in many pathogens while it is absent in human, IspF has been an attractive drug target. This alpha-beta trimeric structure formed by sharing the hydrophobic sides of each of an beta sheet. An pyrophosphate molecule, co-crystalized with the protein, was found in the patch located at the bottom of each protein chain.  

Functional assignment

Lyase 

Structure information

Unit cell parameters

Space Group

P 63  

Unit Cell

a=96.12Å, b=96.12Å, c=155.31Å
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

41.62-2.65Å (2.75-2.65Å)  

R_all(%)

17.6 

R_work(%)

17.3 (28.7) 

R_free(%)

22.7 (37.0) 

Num. observed reflections

24740 (2528) 

Num. R_free reflections

1274 (126) 

Completeness(%)

99.1 (96.0) 

Model parameters

Num Atoms

4655  

Num Waters

63  

Num Hetatoms

117  

Model mean isotropic B factor

72.870Ų  

RMSD bond length

0.008Å  

RMSD bond angle

1.144°  

RMSD dihedral angle

16.208°

 

Filename uploaded

dep.pdb (uploaded on Apr 02, 2011 11:48 AM)  

Inserted

Apr 02, 2011