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PDBsum entry 4fm5

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protein ligands Protein-protein interface(s) links
Oxidoreductase/oxidoreductase inhibitor PDB id
4fm5
Jmol
Contents
Protein chains
552 a.a.
Ligands
BOG ×6
NAG-NAG ×4
HEM ×4
DF0 ×4
Waters ×186
PDB id:
4fm5
Name: Oxidoreductase/oxidoreductase inhibitor
Title: X-ray structure of des-methylflurbiprofen bound to murine co
Structure: Prostaglandin g/h synthase 2. Chain: a, b, c, d. Fragment: prostaglandin g/h synthase 2. Synonym: cyclooxygenase-2, cox-2, glucocorticoid-regulated inflammatory cyclooxygenase, gripghs, macrophage activation associated marker protein p71/73, pes-2, phs ii, prostaglan synthase 2, pgh synthase 2, pghs-2, prostaglandin-endoperox synthase 2, tis10 protein. Engineered: yes
Source: Mus musculus. Mouse. Organism_taxid: 10090. Gene: ptgs2, cox-2, cox2, pghs-b, tis10. Expressed in: spodoptera frugiperda. Expression_system_taxid: 7108
Resolution:
2.81Å     R-factor:   0.243     R-free:   0.290
Authors: S.Xu,S.Banerjee,M.A.Windsor,L.J.Marnett
Key ref: M.A.Windsor et al. (2012). Substrate-Selective Inhibition of Cyclooxygenase-2: Development and Evaluation of Achiral Profen Probes. ACS Med Chem Lett, 3, 759-763. PubMed id: 22984634
Date:
15-Jun-12     Release date:   29-Aug-12    
PROCHECK
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 Headers
 References

Protein chains
Pfam   ArchSchema ?
Q05769  (PGH2_MOUSE) -  Prostaglandin G/H synthase 2
Seq:
Struc:
 
Seq:
Struc:
604 a.a.
552 a.a.
Key:    PfamA domain  Secondary structure  CATH domain

 Enzyme reactions 
   Enzyme class: E.C.1.14.99.1  - Prostaglandin-endoperoxide synthase.
[IntEnz]   [ExPASy]   [KEGG]   [BRENDA]
      Reaction: Arachidonate + AH2 + 2 O2 = prostaglandin H2 + A + H2O
Arachidonate
Bound ligand (Het Group name = HEM)
matches with 51.16% similarity
+ AH(2)
+ 2 × O(2)
= prostaglandin H(2)
+
+ H(2)O
Molecule diagrams generated from .mol files obtained from the KEGG ftp site
 Gene Ontology (GO) functional annotation 
  GO annot!
  Biological process     oxidation-reduction process   6 terms 
  Biochemical function     peroxidase activity     3 terms  

 

 
    reference    
 
 
ACS Med Chem Lett 3:759-763 (2012)
PubMed id: 22984634  
 
 
Substrate-Selective Inhibition of Cyclooxygenase-2: Development and Evaluation of Achiral Profen Probes.
M.A.Windsor, D.J.Hermanson, P.J.Kingsley, S.Xu, B.C.Crews, W.Ho, C.M.Keenan, S.Banerjee, K.A.Sharkey, L.J.Marnett.
 
  ABSTRACT  
 
No abstract given.