POP-OUT | CLOSE
 
JAK2 kinase (JH1 domain) in complex with the inhibitor TRANS-4-[(8AS)-2-[(1R)-1-HYDROXYETHYL]IMIDAZO[4,5-D]PYRROLO[2,3-B]PYRIDIN-1(8AH)-YL]CYCLOHEXANECARBONITRILE
4IVA
Primary Citation
 
 
  •   Molecular Description Hide
    Classification: Transferase/transferase Inhibitor
    Structure Weight: 35651.77
    Molecule: Tyrosine-protein kinase JAK2
    Polymer: 1 Type: protein Length: 300
    Chains: A
    EC#: 2.7.10.2   
    Fragment: UNP residues 833-1132
    Organism: Homo sapiens
    Gene Name: Gene View for JAK2
    UniProtKB: Protein Feature View | Search PDB | O60674  
     
  •   Structure Validation Hide

    Download full validation report    

     

  • 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: Spodoptera frugiperda  
     
  •   Related PDB Entries Hide
    Identifier Details
    4IVB   
    4IVC   
    4IVD   
     
  •   Ligand Chemical Component Hide
    Identifier Formula Name View Interactions
    1J5
    Search 
    Download 
    1J5 C17 H19 N5 O
    trans-4-{2-[(1R)-1-hydroxyethyl]imidazo[4,5- d]pyrrolo[2,3-b]pyridin-1(6H)-yl}cyclohexanecarbonitrile
    1J5:4IVA
     
  •   Modified Residues Hide
    Identifier Formula Parent Type
    PTR
    Search 
    PTR C9 H12 N O6 P TYR lPeptideLinking
     
  •   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 and generated by PISA (software)
Downloadable viewers:
 
 
 
  •   MyPDB Personal Annotations Hide
     
  •   Deposition Summary Hide
    Authors:   Eigenbrot, C.,  Shia, S.

    Deposition:   2013-01-22
    Release:   2013-05-22
    Last Modified (REVDAT):   2013-07-03
     
  •   Revision History    Hide
    Mouse over text for details
    2013-07-03
    Citation
     
  •   Experimental Details Hide
    Method:   X-RAY DIFFRACTION
    Exp. Data:
      Structure Factors
    EDS  
    Resolution[Å]:   1.50
    R-Value: 0.176 (obs.)
    R-Free: 0.193
    Space Group: P 21
    Unit Cell:
      Length [Å] Angles [°]
    a = 44.25 α = 90.00 
    b = 69.30 β = 101.02 
    c = 50.09 γ = 90.00