CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU82209.
1O47
Primary Citation
 
 
  •   Molecular Description Hide
    Classification: Signaling Protein
    Structure Weight: 12988.70
    Molecule: PROTO-ONCOGENE TYROSINE-PROTEIN KINASE SRC
    Polymer: 1 Type: protein Length: 108
    Chains: A
    EC#: 2.7.10.2   
    Fragment: SH2 DOMAIN
    Organism: Homo sapiens
    Gene Names: Gene View for SRC SRC1
    UniProtKB: Protein Feature View | Search PDB | P12931  
     
  •   Structure Validation Hide

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  •   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
    822
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    822 C31 H34 F2 N3 O6 P
    N-ACETYL-N-[1-(1,1'-BIPHENYL-4-YLMETHYL)- 2-OXOAZEPAN-3-YL]-4-[DIFLUORO(PHOSPHONO)METHYL]PHENYLALANINAMIDE
    822:1O47
     
  •   External Ligand Annotations Hide
    Identifier   Binding Affinity (Sequence Identity %)
    822
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    822
    IC50: 4 - 5 nM (100) - data from BindingDB  
    IC50: 4 nM - data from 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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  •   Deposition Summary Hide
    Authors:   Lange, G.,  Loenze, P.,  Liesum, A.

    Deposition:   2003-06-15
    Release:   2004-02-17
    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:
    N/A
    Resolution[Å]:   1.80
    R-Value: 0.192 (obs.)
    R-Free: n/a
    Space Group: P 21 21 21
    Unit Cell:
      Length [Å] Angles [°]
    a = 26.59 α = 90.00 
    b = 59.02 β = 90.00 
    c = 65.06 γ = 90.00