Home    Target List    Selection    Community Requests    Clones    Screenings    XML files    Diffraction Images    Progress    Homolog Search    Clustering    Statistics    News    Help    Log In
To see full content of that page you need the activeISee plugin.
Get the latest version from here.

Structure of IDP00520

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

(tree view)
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

Edit this annotation | Download molsoft presentation
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 
Slides:
  • Asymmetric unit
  • Biological unit
  • B-factors distribution
  • B-factors distribution on the surface
  • Homolog superposition
    • Presentation Controlls:
    rotate
    with the [Left]-mouse
    drag
    with the [Middle]-mouse (or with [Ctrl]-key pressed)
    zoom
    with the [Left]-mouse in the left zone of the window: zoom-up, unzoom-down
    clipping
    with the [Left]-mouse in the right zone of the window

    Presentation Options:
    background color:
    black, white
    ribbon style:
    normal, smooth
    ribbon color:
    secondary structure, N to C, molecule

    Ligands

    Ligand code Name Ligand type
    CTP cytidine-5'-phosphate
    CL chloride ion
    SO4 sulfate ion
    MG magnesium ion
    MSE selenomethionine modified residue
    EPE 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid

    Structure information

    View structure information | Edit structure information (upload a PDB file)

    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 (Å2)
    68.780  
    RMSD bond length (Å)
    0.017  
    RMSD bond angle
    1.745°  
    Filename uploaded
    rcsb050880-idp520ctp.pdb (uploaded on Jan 30, 2009 12:22 PM)  
    Inserted
    Jan 30, 2009