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Crystal structure at 2.6A of the ternary complex between antithrombin, a P14-P8 reactive loop peptide, and an exogenous tetrapeptide
1JVQ
Primary Citation
 
 
  •   Molecular Description Hide
    Classification: Hydrolase/hydrolase Inhibitor
    Structure Weight: 101451.25
    Molecule: ANTITHROMBIN-III
    Polymer: 1 Type: protein Length: 432
    Chains: I, L
    Organism: Homo sapiens
    Gene Names: Gene View for SERPINC1 AT3 PRO0309
    UniProtKB: Protein Feature View | Search PDB | P01008  
    Molecule: P14-P8 reactive loop peptide
    Polymer: 2 Type: protein Length: 8
    Chains: C
    Fragment: Human antithrombin P14-P8 peptide
    Molecule: exogenous Cholecystokinin tetrapeptide
    Polymer: 3 Type: protein Length: 5
    Chains: D
    Fragment: Cholecystokinin peptide
     
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  •   Source Hide
    Polymer: 1
    Scientific Name: Homo sapiens   Taxonomy   Common Name: Human  
    Polymer: 2
    Scientific Name: Synthetic construct   Taxonomy    
    Polymer: 3
    Scientific Name: Synthetic construct   Taxonomy    
     
  •   Related PDB Entries Hide
    Identifier Details
    1BR8  2.9A structure of binary complexed antithrombin. This is dimeric antithrombin complexed with a 12 residue peptide corresponding to P14-P3 of the reactive centre loop 
     
  •   Ligand Chemical Component Hide
    Identifier Formula Name View Interactions
    NAG
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    NAG C8 H15 N O6
    N-ACETYL-D-GLUCOSAMINE
    NAG:1JVQ
    NDG
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    NDG C8 H15 N O6
    2-(ACETYLAMINO)-2-DEOXY-A-D-GLUCOPYRANOSE
     
  •   Modified Residues Hide
    Identifier Formula Parent Type
    ACE
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    ACE C2 H4 O nonPolymer
    NH2
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    NH2 H2 N nonPolymer
     
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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:   Zhou, A.,  Huntington, J.A.,  Lomas, D.A.,  Carrell, R.W.,  Stein, P.E.

    Deposition:   2001-08-31
    Release:   2003-06-03
    Last Modified (REVDAT):   2011-07-13
     
  •   Revision History    Hide
    Mouse over text for details
    2011-07-13
    Binding sites and description
    2011-07-13
    Non-polymer description
    2011-07-13
    Function and keywords
    2011-07-13
    Linkage
    2011-07-13
    Sequence database correspondence
    2011-07-13
    Polymer description
    2011-07-13
    Version format compliance
    2011-07-13
    Atom nomenclature
     
  •   Experimental Details Hide
    Method:   X-RAY DIFFRACTION
    Exp. Data:
      Structure Factors
    EDS  
    Resolution[Å]:   2.60
    R-Value: 0.204 (work)
    R-Free: 0.258
    Space Group: P 21
    Unit Cell:
      Length [Å] Angles [°]
    a = 69.14 α = 90.00 
    b = 100.62 β = 104.42 
    c = 87.16 γ = 90.00