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Crystal structure of Bcl-xL in complex with inhibitor (WEHI-539).
3ZLR
Primary Citation
 
 
  •   Molecular Description Hide
    Classification: Apoptosis
    Structure Weight: 37415.95
    Molecule: BCL-2-LIKE PROTEIN 1
    Polymer: 1 Type: protein Length: 158
    Chains: A, B
    Fragment: RESIDUES 1-26,83-209
    Organism: Homo sapiens
    Gene Names: Gene View for BCL2L1 BCL2L BCLX
    UniProtKB: Protein Feature View | Search PDB | Q07817  
     
  •   Structure Validation Hide

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  •   Source Hide
    Polymer: 1
    Scientific Name: Homo sapiens   Taxonomy   Common Name: Human Expression System: Escherichia coli  
     
  •   Related PDB Entries Hide
    Identifier Details
    3ZK6  CRYSTAL STRUCTURE OF BCL-XL IN COMPLEX WITH INHIBITOR (COMPOUND 2). 
    3ZLN  CRYSTAL STRUCTURE OF BCL-XL IN COMPLEX WITH INHIBITOR (COMPOUND 3). 
    3ZLO  CRYSTAL STRUCTURE OF BCL-XL IN COMPLEX WITH INHIBITOR (COMPOUND 6). 
     
  •   Ligand Chemical Component Hide
    Identifier Formula Name View Interactions
    EDO
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    EDO C2 H6 O2
    1,2-ETHANEDIOL
    SO4
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    SO4 O4 S
    SULFATE ION
    X0B
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    X0B C31 H29 N5 O3 S2
    5-[3-[4-(aminomethyl)phenoxy]propyl]-2-[(8E)- 8-(1,3-benzothiazol-2-ylhydrazinylidene)- 6,7-dihydro-5H-naphthalen-2-yl]-1,3-thiazole- 4-carboxylic acid
    X0B:3ZLR
     
  •   External Ligand Annotations Hide
    Identifier   Binding Affinity (Sequence Identity %)
    X0B
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    X0B
    N/Ain BindingDB
    Kd: 0.6 nM - data from BindingMOAD  
    N/Ain PDBbind
     
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  •   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)
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  •   Deposition Summary Hide
    Authors:   Czabotar, P.E.,  Lessene, G.L.,  Smith, B.J.,  Colman, P.M.

    Deposition:   2013-02-04
    Release:   2013-04-24
    Last Modified (REVDAT):   2013-06-05
     
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    2013-06-05
    Citation
    2013-05-08
    Citation
     
  •   Experimental Details Hide
    Method:   X-RAY DIFFRACTION
    Exp. Data:
      Structure Factors
    EDS  
    Resolution[Å]:   2.03
    R-Value: 0.161 (obs.)
    R-Free: 0.208
    Space Group: P 43 2 2
    Unit Cell:
      Length [Å] Angles [°]
    a = 56.24 α = 90.00 
    b = 56.24 β = 90.00 
    c = 211.95 γ = 90.00