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STRUCTURE OF HDAC4 CATALYTIC DOMAIN (A DOUBLE CYSTEINE-TO-ALANINE MUTANT) BOUND TO A TRIFLUOROMETHYLKETONE INHBITOR
2VQQ
Primary Citation
 
 
  •   Molecular Description Hide
    Classification: Hydrolase
    Structure Weight: 90249.54
    Molecule: HISTONE DEACETYLASE 4
    Polymer: 1 Type: protein Length: 413
    Chains: A, B
    EC#: 3.5.1.98   
    Fragment: CATALYTIC DOMAIN, RESIDUES 648-1057
    Mutation: YES
    Organism: Homo sapiens
    Gene Names: Gene View for HDAC4 KIAA0288
    UniProtKB: Protein Feature View | Search PDB | P56524  
     
  •   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  
     
  •   Related PDB Entries Hide
    Identifier Details
    2VQJ  STRUCTURE OF HDAC4 CATALYTIC DOMAIN BOUND TO A TRIFLUOROMETHYLKETONE INHBITOR 
    2VQM  STRUCTURE OF HDAC4 CATALYTIC DOMAIN BOUND TO A HYDROXAMIC ACID INHBITOR 
    2VQO  STRUCTURE OF HDAC4 CATALYTIC DOMAIN WITH A GAIN-OF-FUNCTION MUATION BOUND TO A TRIFLUOROMETHYLKETONE INHBITOR 
    2VQV  STRUCTURE OF HDAC4 CATALYTIC DOMAIN WITH A GAIN-OF-FUNCTION MUATION BOUND TO A HYDROXAMIC ACID INHIBITOR 
    2VQW  STRUCTURE OF INHIBITOR-FREE HDAC4 CATALYTIC DOMAIN (WITH GAIN-OF-FUNCTION MUTATION HIS332TYR) 
     
  •   Ligand Chemical Component Hide
    Identifier Formula Name View Interactions
    K
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    K K
    POTASSIUM ION
    SO4
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    SO4 O4 S
    SULFATE ION
    TFG
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    TFG C19 H16 F3 N3 O3 S
    2,2,2-TRIFLUORO-1-{5-[(3-PHENYL-5,6-DIHYDROIMIDAZO[1,2- A]PYRAZIN-7(8H)-YL)CARBONYL]THIOPHEN-2-YL}ETHANE- 1,1-DIOL
    TFG:2VQQ
    ZN
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    ZN Zn
    ZINC ION
     
  •   External Ligand Annotations Hide
    Identifier   Binding Affinity (Sequence Identity %)
    TFG
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    TFG
    N/Ain BindingDB
    IC50: 367 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 1       
Biological assembly 1 assigned by authors and generated by PQS (software)
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