Targeted polypharmacology: crystal structure of the c-Src kinase domain in complex with PP494, a multitargeted kinase inhibitor
3EN5
Primary Citation
 
 
  •   Molecular Description Hide
    Classification: Transferase
    Structure Weight: 66104.54
    Molecule: Proto-oncogene tyrosine-protein kinase Src
    Polymer: 1 Type: protein Length: 286
    Chains: A, B
    EC#: 2.7.10.2   
    Fragment: kinase domain
    Organism: Gallus gallus
    Gene Name: Gene View for SRC
    UniProtKB: Protein Feature View | Search PDB | P00523  
     
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  •   Source Hide
    Polymer: 1
    Scientific Name: Gallus gallus   Taxonomy   Common Name: Bantam,chickens Expression System: Escherichia coli  
     
  •   Related PDB Entries Hide
    Identifier Details
    3EN4    
    3EN6    
    3EN7    
     
  •   Ligand Chemical Component Hide
    Identifier Formula Name View Interactions
    KS4
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    KS4 C17 H19 N5 O2
    1-cyclobutyl-3-(3,4-dimethoxyphenyl)-1H-pyrazolo[3,4- d]pyrimidin-4-amine
    KS4:3EN5
     
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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 and generated by PISA (software)
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  •   Deposition Summary Hide
    Authors:   Blair, J.A.,  Apsel, B.,  Knight, Z.A.,  Shokat, K.M.

    Deposition:   2008-09-25
    Release:   2008-10-14
    Last Modified (REVDAT):   2011-07-13
     
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    2011-07-13
    Version format compliance
    2011-07-13
    Flag residual B-value
     
  •   Experimental Details Hide
    Method:   X-RAY DIFFRACTION
    Exp. Data:
      Structure Factors
    EDS  
    Resolution[Å]:   2.66
    R-Value: 0.206 (obs.)
    R-Free: 0.248
    Space Group: P 1
    Unit Cell:
      Length [Å] Angles [°]
    a = 42.30 α = 101.14 
    b = 62.99 β = 92.15 
    c = 74.14 γ = 90.12