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PDBsum entry 4m10

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protein ligands Protein-protein interface(s) links
Oxidoreductase/oxidoreductase inhibitor PDB id
4m10
Jmol
Contents
Protein chains
552 a.a.
Ligands
NAG ×8
NAG-NAG ×4
HEM ×4
ICD ×4
BOG ×4
Waters ×1738
PDB id:
4m10
Name: Oxidoreductase/oxidoreductase inhibitor
Title: Crystal structure of murine cyclooxygenase-2 complex with is
Structure: Prostaglandin g/h synthase 2. Chain: a, b, c, d. Fragment: unp residues 18-604. 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:
2.01Å     R-factor:   0.190     R-free:   0.220
Authors: S.Xu,D.J.Hermanson,S.Banerjee,K.Ghebreelasie,L.J.Marnett
Key ref: S.Xu et al. (2014). Oxicams bind in a novel mode to the cyclooxygenase active site via a two-water-mediated H-bonding Network. J Biol Chem, 289, 6799-6808. PubMed id: 24425867 DOI: 10.1074/jbc.M113.517987
Date:
02-Aug-13     Release date:   22-Jan-14    
PROCHECK
Go to PROCHECK summary
 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!
  Cellular component     protein complex   8 terms 
  Biological process     maintenance of blood-brain barrier   64 terms 
  Biochemical function     lipid binding     10 terms  

 

 
    reference    
 
 
DOI no: 10.1074/jbc.M113.517987 J Biol Chem 289:6799-6808 (2014)
PubMed id: 24425867  
 
 
Oxicams bind in a novel mode to the cyclooxygenase active site via a two-water-mediated H-bonding Network.
S.Xu, D.J.Hermanson, S.Banerjee, K.Ghebreselasie, G.M.Clayton, R.M.Garavito, L.J.Marnett.
 
  ABSTRACT  
 
No abstract given.