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Solution structure of the Wiskott-Aldrich Syndrome Protein (WASP) autoinhibited core domain complexed with (S)-wiskostatin, a small molecule inhibitor
1T84
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  •   Molecular Description Hide
    Classification: Signaling Protein
    Structure Weight: 12029.85
    Molecule: Wiskott-Aldrich syndrome protein
    Polymer: 1 Type: protein Length: 107
    Chains: A
    Fragment: core autoinhibited domain (GTPase binding domain is covalently linked to the cofilin homology and acidic regions)
    Organism: Homo sapiens
    Gene Names: Gene View for WAS IMD2
    UniProtKB: Protein Feature View | Search PDB | P42768  
     

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  •   Source Hide
    Polymer: 1
    Scientific Name: Homo sapiens   Taxonomy   Common Name: Human Expression System: Escherichia coli bl21(de3)  
     
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    Identifier Details
    1CEE  GTPase-binding domain of WASP in complex with Cdc42 
    1EJ5  unliganded WASP autoinhibited core domain 
     
  •   Ligand Chemical Component Hide
    Identifier Formula Name View Interactions
    WSK
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    WSK C17 H18 Br2 N2 O
    (2S)-1-(3,6-DIBROMO-9H-CARBAZOL-9-YL)-3-(DIMETHYLAMINO)PROPAN- 2-OL
     
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Data in orange boxes are gathered from external resources (when available).
 
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  •   Deposition Summary Hide
    Authors:   Peterson, J.R.,  Bickford, L.C.,  Morgan, D.,  Kim, A.S.,  Ouerfelli, O.,  Kirschner, M.W.,  Rosen, M.K.

    Deposition:   2004-05-11
    Release:   2004-07-13
    Last Modified (REVDAT):   2009-02-24
     
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    2011-07-13
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  •   Experimental Details Hide
    Method:   SOLUTION NMR
    Exp. Data:
    N/A
    NMR Ensemble
    Conformers Calculated:     100
    Conformers Submitted:     20
    Selection Criteria: structures with the lowest energy
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    Method: SOLUTION NMR