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Structure of the Kinase Domain of an Imatinib-Resistant Abl Mutant in Complex with the Aurora Kinase Inhibitor VX-680
2F4J
Primary Citation
 
 
  •   Molecular Description Hide
    Classification: Transferase
    Structure Weight: 33636.79
    Molecule: Proto-oncogene tyrosine-protein kinase ABL1
    Polymer: 1 Type: protein Length: 287
    Chains: A
    EC#: 2.7.10.2   
    Fragment: Kinase domain, residues 227-513
    Mutation: H396P
    Organism: Homo sapiens
    Gene Names: Gene View for ABL1 ABL JTK7
    UniProtKB: Protein Feature View | Search PDB | P00519  
     
  •   Structure Validation Hide

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  • MolProbity Ramachandran Plot
     

  •   Related Citations in PDB Entry (REMARK 1) Hide
     
  •   Source Hide
    Polymer: 1
    Scientific Name: Homo sapiens   Taxonomy   Common Name: Human Expression System: Escherichia coli  
     
  •   Ligand Chemical Component Hide
    Identifier Formula Name View Interactions
    VX6
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    VX6 C23 H28 N8 O S
    CYCLOPROPANECARBOXYLIC ACID {4-[4-(4-METHYL- PIPERAZIN-1-YL)-6-(5-METHYL-2H-PYRAZOL-3- YLAMINO)-PYRIMIDIN-2-YLSULFANYL]-PHENYL}- AMIDE
    VX6:2F4J
     
  •   External Ligand Annotations Hide
    Identifier   Binding Affinity (Sequence Identity %)
    VX6
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    VX6
    IC50: 98 - 420 nM (98 - 99) - data from BindingDB  
    Kd: 3 - 23000 nM (90 - 99) - data from BindingDB  
    Ki: 30 - 42 nM (99) - data from BindingDB  
    N/Ain BindingMoad
    N/Ain PDBbind
     
  •   External Domain Annotations Hide
     
  •   Structural Biology Knowledgebase Data Hide
     
 
Data in orange boxes are gathered from external resources (when available).
 
  Biological Assembly       
Biological assembly 1 assigned by authors
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