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4-Chlorobenzoyl-CoA Ligase/Synthetase, bound to 4CBA-Adenylate
 
 
DOI:10.2210/pdb3cw8/pdb
3CW8
 
Primary Citation
spinning wheel
 
 
  •  
    Move Section Molecular Description Hide
    Classification: Ligase
    Structure Weight: 55130.75
     
    Molecule:4-chlorobenzoyl CoA ligase
    Polymer:1Type:polypeptide(L)Length:504
    Chains:X
    EC#:6.2.1.33 Go to IUBMB EC entry  
     
     
  •  
    Move Section Source Hide
    Polymer: 1
    Scientific Name: Alcaligenes sp. Go to NCBI Taxonomy entry Expression System: Escherichia coli  
     
     
  •  
    Move Section Related PDB Entries Hide
    Id Details
    1PG4   
    1T5D   
    3CW9   
     
     
  •  
    Move Section Ligand Chemical Component Hide
    Identifier Name Formula Interaction View Links
    00A     5'-O-[(S)-{[(4-chlorophenyl)carbonyl]oxy}(hydroxy)phosphoryl]adenosine C17 H17 Cl N5 O8 P 3DLigand Explorer Link out to Ligand Expos:00A Link out to SuperLigands:00A Link out to SuperHapten:00A
    EDO     1,2-ETHANEDIOL C2 H6 O2 3DLigand Explorer Link out to Ligand Expos:EDO Link out to SuperLigands:EDO Link out to SuperHapten:EDO
     
     
  •  
    Move Section Modified Residues Hide
    Identifier Name Formula Interaction View Links
    00A 5'-O-[(S)-{[(4-chlorophenyl)carbonyl]oxy}(hydroxy)phosphoryl]adenosine (parent: A)(type: nonPolymer) C17 H17 Cl N5 O8 P 3D Ligand Explorer Link out to Ligand Expos:00A Link out to SuperLigands:00A Link out to SuperHapten:00A 2D
     
     
  •  
    Move Section Derived Data Hide
     
     
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  •  
    Move Section Deposition Summary Hide
    Authors:   Reger, A.S.,   Cao, J.,   Wu, R.,   Dunaway-Mariano, D.,   Gulick, A.M.

    Deposition:   2008-04-21
    Release:   2008-09-02
    Last Modified (REVDAT):   2009-02-24
     
     
  •  
    Move Section Experimental Details Hide
    Method:   X-RAY DIFFRACTION
    Experimental Data:   Download Structure Factors
    View a histogram of Resolution Resolution[Å]: 2.25
    R-Value: 0.199 (obs.)
    R-Free: 0.258
    Space Group: P 32 2 1
    Unit Cell:
      Length [Å] Angles [°]
    a = 128.58 α = 90.00 
    b = 128.58 β = 90.00 
    c = 72.32 γ = 120.00