POP-OUT | CLOSE
CRYSTAL STRUCTURE OF ARACHIDONIC ACID BOUND IN THE CYCLOOXYGENASE ACTIVE SITE OF PGHS-1
Back to the Index...COX
1DIY
Primary Citation

The productive conformation of arachidonic acid bound to prostaglandin synthase.

Malkowski, M.G.,  Ginell, S.L.,  Smith, W.L.,  Garavito, R.M.

Journal: (2000) Science 289: 1933-1937

PubMed: 10988074  
Search Related Articles in PubMed  
PubMed Abstract:
Prostaglandin H synthase-1 and -2 (PGHS-1 and -2) catalyze the committed step in prostaglandin synthesis and are targets for nonsteroidal anti-inflammatory drugs (NSAIDs) like aspirin. We have determined the structure of PGHS-1 at 3 angstrom resolution with arachidonic acid (AA)... [ Read More & Search PubMed Abstracts ]
 
  •   Molecular Description Hide
    Classification: Oxidoreductase
    Structure Weight: 67577.98
    Molecule: PROSTAGLANDIN H2 SYNTHASE-1
    Polymer: 1 Type: protein Length: 553
    Chains: A
    EC#: 1.14.99.1   
    Organism Ovis aries
    Gene Names PTGS1 COX1
    UniProtKB:   Protein Feature View | Search PDB | P05979  
    P05979Molec. ProcessingsiProstaglandin G/H synthase 1MotifHHHEGF-E.C.1.14.99.1: Prostaglandin-endoperoxide synthaseUP SitesUniProtKBSCOP domainsHeme-dependent peroxidasesEGF/ PDB SitesSecstruc1DIY.APDBTooltip
     
  •   Source Hide
    Polymer: 1
    Scientific Name: Ovis aries   Taxonomy   Common Name: Sheep  
    Polymer: 2
    Scientific Name: Synthetic construct   Taxonomy    
    Polymer: 3
    Scientific Name: Synthetic construct   Taxonomy    
    Polymer: 4
    Scientific Name: Synthetic construct   Taxonomy    
     
  •   Related PDB Entries Hide
    Identifier Details
    1CVU  CRYSTAL STRUCTURE OF ARACHIDONIC ACID BOUND TO THE CYCLOOXYGENASE ACTIVE SITE OF COX-2 
    1DDX  CRYSTAL STRUCTURE OF A MIXTURE OF ARACHIDONIC ACID AND PROSTAGLANDIN BOUND TO THE CYCLOOXYGENASE ACTIVE SITE OF COX-2: PROSTAGLANDIN STRUCTURE 
    1PGE  SYNTHESIS AND USE OF IODINATED NONSTEROIDAL ANTIINFLAMMATORY DRUG ANALOGS AS CRYSTALLOGRAPHIC PROBES OF THE PROSTAGLANDIN H2 SYNTHASE-1 CYCLOOXYGENASE ACTIVE SITE 
    1PRH  CRYSTAL STRUCTURE OF THE MEMBRANE PROTEIN PROSTAGLANDIN H2 SYNTHASE-1 
    1PTH  THE STRUCTURAL BASIS OF ASPIRIN ACTIVITY INFERRED FROM THE CRYSTAL STRUCTURE OF INACTIVATED PROSTAGLANDIN H2 SYNTHASE-1 
     
  •   Ligand Chemical Component Hide
    Identifier Formula Name Interactions
    ACD
    Search 
    Download      		ACD C20 H32 O2
    ARACHIDONIC ACID
    		ACD:1DIY
    BMA
    Search 
    Download      		BMA C6 H12 O6
    BETA-D-MANNOSE
    BOG
    Search 
    Download      		BOG C14 H28 O6
    B-OCTYLGLUCOSIDE
    COH
    Search 
    Download      		COH C34 H32 Co N4 O4
    PROTOPORPHYRIN IX CONTAINING CO
    		COH:1DIY
    MAN
    Search 
    Download      		MAN C6 H12 O6
    ALPHA-D-MANNOSE
    NAG
    Search 
    Download      		NAG C8 H15 N O6
    N-ACETYL-D-GLUCOSAMINE
    NDG
    Search 
    Download      		NDG C8 H15 N O6
    2-(ACETYLAMINO)-2-DEOXY-A-D-GLUCOPYRANOSE
     
  •   External Domain Annotations Hide
     
  •   Structural Biology Knowledgebase Data Hide

    Information from the Structural Biology Knowledgebase  

     
 
Data in orange boxes are gathered from external resources (when available).
Reset Layout
 
  Biological Assembly 1       
Biological assembly 1 assigned by authors
Downloadable viewers:
 
 
 
  •   MyPDB Personal Annotations Hide

    To save personal annotations, please login to your MyPDB account.

     
  •   Deposition Summary Hide
    Authors:   Malkowski, M.G.,  Ginell, S.L.,  Smith, W.L.,  Garavito, R.M.

    Deposition:   1999-11-30
    Release:   2000-09-22
    Last Modified (REVDAT):   2011-07-13
     
  •   Revision History    Hide
    Mouse over text for details
    2011-07-13
    Biological assembly
    2011-07-13
    Version format compliance
     
  •   Experimental Details Hide
    Method:   X-RAY DIFFRACTION
    Exp. Data:
      Structure Factors
    EDS  
    Resolution[Å]:   3.00
    R-Value: 0.216 (obs.)
    R-Free: 0.290
    Space Group: P 65 2 2
    Unit Cell:
      Length [Å] Angles [°]
    a = 182.10 α = 90.00 
    b = 182.10 β = 90.00 
    c = 103.64 γ = 120.00