Crystal structure of mutant ABL kinase domain in complex with small molecule fragment
3DK3
Primary Citation
 
 
  •   Molecular Description Hide
    Classification: Transferase
    Structure Weight: 68718.95
    Molecule: Proto-oncogene tyrosine-protein kinase ABL1
    Polymer: 1 Type: protein Length: 293
    Chains: A, B
    EC#: 2.7.10.2   
    Mutation: Y393F, L445P
    Organism: Mus musculus
    Gene Names: Abl1 Abl
    UniProtKB: Protein Feature View | Search PDB | P00520  
     
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  •   Related Citations in PDB Entry (REMARK 1) Hide
     
  •   Source Hide
    Polymer: 1
    Scientific Name: Mus musculus   Taxonomy   Common Name: Mouse Expression System: Escherichia coli  
     
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    Identifier Details
    3DK6    
    3DK7    
     
  •   Ligand Chemical Component Hide
    Identifier Formula Name View Interactions
    SO4
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    SO4 O4 S
    SULFATE ION
    SX7
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    SX7 C21 H22 N6 O
    2-amino-5-[3-(1-ethyl-1H-pyrazol-5-yl)-1H- pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide
    SX7:3DK3
     
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  •   Structural Biology Knowledgebase Data Hide
     
 
Data in orange boxes are gathered from external resources (when available).
  Biological Assembly 1       
Biological assembly 1 assigned by authors
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  •   Deposition Summary Hide
    Authors:   Lewis, H.A.

    Deposition:   2008-06-24
    Release:   2008-07-29
    Last Modified (REVDAT):   2009-02-24
     
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    2011-07-13
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  •   Experimental Details Hide
    Method:   X-RAY DIFFRACTION
    Exp. Data:
      Structure Factors
    EDS  
    Resolution[Å]:   2.02
    R-Value: 0.213 (work)
    R-Free: 0.248
    Space Group: P 21 21 2
    Unit Cell:
      Length [Å] Angles [°]
    a = 106.25 α = 90.00 
    b = 131.81 β = 90.00 
    c = 56.23 γ = 90.00