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Structure of IDP00520

CRYSTAL STRUCTURE OF 2-C-METHYL-D-ERYTHRITOL 2,4-CYCLODIPHOSPHATE SYNTHASE ISPF COMPLEXED WITH CYTIDINE TRIPHOSPHATE

Edit deposit information
CSGID target
IDP00520 
PDB Id
3FPI (NCBI MMDB
Authors
Y.Kim,N.Maltseva,J.Stam,W.F.Anderson,A.Joachimiak,Center For Structural Genomics Of Infectious Diseases (Csgid) 
Responsible person
Youngchang Kim 
Responsible lab
Argonne National Laboratory 
Deposition Date
Jan 05, 2009 
Release Date
Feb 03, 2009 

Annotation

Description
The IspF, determined by SAD to 2.80 A, is an alpha/beta structure that forms a trimer. The protein was co-crystallized with CTP which bound to active site. This 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase is the fifth enzyme of the nonmevalonate terpenoid pathway for isopentenyl diphosphate biosynthesis and further Taxol biosynthesis 
Functional assignment
Lyase 

Ligands

Ligand code Name Ligand type
CTP cytidine-5'-phosphate
CL
SO4
MG
MSE modified residue
EPE

Structure information

Unit cell parameters

Space Group
I 21 3  
Unit Cell

a=145.64Å, b=145.64Å, c=145.64Å
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
34.33-2.80Å (2.88-2.81Å)  
Rall(%)
17.2 
Rwork(%)
17.0 (30.0) 
Rfree(%)
19.9 (33.1) 
Num. observed reflections
12622 (913) 
Num. Rfree reflections
618 (44) 
Completeness(%)
99.0 (98.5) 

Model parameters

Num Atoms
1181  
Num Waters
76  
Num Hetatoms
160  
Model mean isotropic B factor
68.780Å2  
RMSD bond length
0.017Å  
RMSD bond angle
1.745°  
Filename uploaded
rcsb050880-idp520ctp.pdb (uploaded on Jan 30, 2009 12:22 PM)  
Inserted
Jan 30, 2009