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Structure of IDP00044

Crystal structure of BA2930 mutant (H183G) in complex with AcCoA

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CSGID target
IDP00044 
PDB Id
3KZL (NCBI MMDB) 
Authors
M.M.Klimecka,M.Chruszcz,P.J.Porebski,M.Cymborowski,W.F.Anderson,W.Minor 
Responsible person
Majka Klimecka 
Responsible lab
University of Virginia 
Deposition Date
Dec 08, 2009 
Release Date
Dec 22, 2009 

Annotation

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Slides:
  • Asymmetric unit
  • Biological unit
  • B-factors distribution
  • B-factors distribution on the surface
  • ConSurf
  • Homolog superposition
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    secondary structure, N to C, molecule

    Ligands

    Ligand code Name Ligand type
    ACO acetyl coenzyme A
    EPE 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid
    CL chloride ion
    MG magnesium ion
    MSE selenomethionine modified residue

    Structure information

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

    Unit cell parameters

    Space Group
    P 1 21 1  
    Unit Cell

    a=71.83Å, b=109.18Å, c=73.72Å
    α=90.00, β=111.91, γ=90.00  
    Solvent content
    44.5  
    Matthews coefficient
    2.22  

    Refinement

    Data for the highest resolution shell is in parentheses.
    Resolution range
    34.57-2.10Å (2.15-2.10Å)  
    Rall(%)
    18.3  
    Rwork(%)
    18.0 (22.9)  
    Rfree(%)
    23.2 (26.1)  
    Num. observed reflections
    60726 (4082)  
    Num. Rfree reflections
    3097 (208)  
    Completeness(%)
    98.8 (91.0)  

    Model parameters

    Num Atoms
    8859  
    Num Waters
    455  
    Num Hetatoms
    0  
    Model mean isotropic B factor (Å2)
    14.300  
    RMSD bond length (Å)
    0.014  
    RMSD bond angle
    1.516°  
    Filename uploaded
    hkl_refine_101.pdb (uploaded on May 31, 2010 11:06 AM)  
    Inserted
    May 31, 2010