3ntg Summary


Crystal structure of COX-2 with selective compound 23d-(R)

The structure was published by Wang, J.L., Limburg, D., Graneto, M.J., et al., Talley, J.J., Kiefer, J.R., and Carter, J., in 2010 in a paper entitled "The novel benzopyran class of selective cyclooxygenase-2 inhibitors. Part 2: The second clinical candidate having a shorter and favorable human half-life." (abstract).

This crystal structure was determined using X-ray diffraction at a resolution of 2.19 Å and deposited in 2010.

The experimental data on which the structure is based was also deposited.

This PDB entry contains multiple copies of the structure of Prostaglandin G/H synthase 2.

It also contains one or more heterogenic compounds (e.g., ligands, co-factors, ions, modified amino acids, etc.); see here for a complete list.

The molecule has more than one probable quaternary state observed. For more details see the quaternary structure page.

The following tables show cross-reference information to other databases (to obtain a list of all PDB entries sharing the same property or classification, click on the magnifying glass icon):

Chain Name UniProt Name of source organism % of UniProt sequence present in the sample Residues in the sample molecules % of residues observed
A Prostaglandin G/H synthase 2 Q05769 (18-569) (PGH2_MOUSE)search Mus musculussearch 94% 552 100%
B Prostaglandin G/H synthase 2 Q05769 (18-569) (PGH2_MOUSE)search Mus musculussearch 94% 552 100%
C Prostaglandin G/H synthase 2 Q05769 (18-569) (PGH2_MOUSE)search Mus musculussearch 94% 552 100%
D Prostaglandin G/H synthase 2 Q05769 (18-569) (PGH2_MOUSE)search Mus musculussearch 94% 552 100%

This entry contains 1 unique UniProt protein:

UniProt accession Name Organism PDB
Q05769 (18 - 569) Prostaglandin G/H synthase 2 Mus musculus

Chain Structural classification (CATH) Sequence family (Pfam)
A, B, C, D (Q05769) Lamininsearch, Myeloperoxidase, subunit Csearch PF03098: Animal haem peroxidasesearch

Chain ID Biological process (GO) Molecular function (GO) Cellular component (GO)
A, B, C, D (Q05769) anagensearch response to tumor necrosis factorsearch positive regulation of synaptic transmission, glutamatergicsearch ovulationsearch cellular response to mechanical stimulussearch fatty acid biosynthetic processsearch positive regulation of synaptic plasticitysearch response to radiationsearch regulation of cell proliferationsearch brown fat cell differentiationsearch sensory perception of painsearch cyclooxygenase pathwaysearch response to organic substancesearch positive regulation of smooth muscle contractionsearch positive regulation of nitric oxide biosynthetic processsearch response to fatty acidsearch inflammatory responsesearch learningsearch positive regulation of cell deathsearch oxidation-reduction processsearch negative regulation of smooth muscle contractionsearch positive regulation of cell migration involved in sprouting angiogenesissearch response to vitamin Dsearch positive regulation of fever generationsearch prostaglandin biosynthetic processsearch positive regulation of brown fat cell differentiationsearch response to organic cyclic compoundsearch negative regulation of calcium ion transportsearch response to fructosesearch response to manganese ionsearch response to glucocorticoidsearch regulation of blood pressuresearch positive regulation of platelet-derived growth factor productionsearch response to cytokinesearch response to lithium ionsearch bone mineralizationsearch response to lipopolysaccharidesearch maintenance of blood-brain barriersearch keratinocyte differentiationsearch cellular response to hypoxiasearch positive regulation of transforming growth factor beta productionsearch cellular response to ATPsearch positive regulation vascular endothelial growth factor productionsearch positive regulation of NF-kappaB import into nucleussearch lipid metabolic processsearch cellular response to UVsearch hair cyclesearch negative regulation of cell proliferationsearch negative regulation of cell cyclesearch positive regulation of smooth muscle cell proliferationsearch response to estradiolsearch positive regulation of apoptotic processsearch response to drugsearch memorysearch decidualizationsearch fatty acid metabolic processsearch positive regulation of fibroblast growth factor productionsearch negative regulation of synaptic transmission, dopaminergicsearch response to organonitrogen compoundsearch prostaglandin metabolic processsearch embryo implantationsearch positive regulation of vasoconstrictionsearch angiogenesissearch lipid bindingsearch prostaglandin-endoperoxide synthase activitysearch enzyme bindingsearch dioxygenase activitysearch metal ion bindingsearch oxidoreductase activity, acting on single donors with incorporation of molecular oxygen, incorporation of two atoms of oxygensearch protein homodimerization activitysearch peroxidase activitysearch heme bindingsearch oxidoreductase activitysearch protein complexsearch membranesearch organelle membranesearch intracellular membrane-bounded organellesearch endoplasmic reticulum membranesearch neuron projectionsearch cytoplasmsearch endoplasmic reticulumsearch

Chain InterPro annotation
A, B, C, D Epidermal growth factor-like domainsearch Haem peroxidasesearch Haem peroxidase, animalsearch Prostaglandin G/H synthase 2search