3ln0 Summary


Structure of compound 5c-S bound at the active site of COX-2

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 2.2 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 (18-604) (PGH2_MOUSE)search Mus musculussearch 94% 587 94%
B Prostaglandin G/H synthase 2 Q05769 (18-604) (PGH2_MOUSE)search Mus musculussearch 94% 587 94%
C Prostaglandin G/H synthase 2 Q05769 (18-604) (PGH2_MOUSE)search Mus musculussearch 94% 587 94%
D Prostaglandin G/H synthase 2 Q05769 (18-604) (PGH2_MOUSE)search Mus musculussearch 94% 587 94%

This entry contains 1 unique UniProt protein:

UniProt accession Name Organism PDB
Q05769 (18 - 604) 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) regulation of cell proliferationsearch prostaglandin biosynthetic processsearch positive regulation of platelet-derived growth factor productionsearch positive regulation of synaptic transmission, glutamatergicsearch response to organonitrogen compoundsearch cyclooxygenase pathwaysearch positive regulation of smooth muscle contractionsearch positive regulation of nitric oxide biosynthetic processsearch positive regulation of transforming growth factor beta productionsearch memorysearch cellular response to ATPsearch anagensearch ovulationsearch embryo implantationsearch response to organic cyclic compoundsearch brown fat cell differentiationsearch response to estradiolsearch cellular response to hypoxiasearch response to radiationsearch response to drugsearch regulation of blood pressuresearch oxidation-reduction processsearch response to oxidative stresssearch inflammatory responsesearch response to glucocorticoidsearch response to manganese ionsearch positive regulation vascular endothelial growth factor productionsearch decidualizationsearch positive regulation of fever generationsearch cellular response to mechanical stimulussearch negative regulation of synaptic transmission, dopaminergicsearch response to fructosesearch response to fatty acidsearch negative regulation of cell proliferationsearch keratinocyte differentiationsearch response to organic substancesearch response to lithium ionsearch response to lipopolysaccharidesearch positive regulation of NF-kappaB import into nucleussearch positive regulation of synaptic plasticitysearch positive regulation of vasoconstrictionsearch response to tumor necrosis factorsearch positive regulation of fibroblast growth factor productionsearch positive regulation of apoptotic processsearch response to vitamin Dsearch negative regulation of calcium ion transportsearch maintenance of blood-brain barriersearch negative regulation of smooth muscle contractionsearch learningsearch positive regulation of smooth muscle cell proliferationsearch positive regulation of cell deathsearch fatty acid metabolic processsearch bone mineralizationsearch fatty acid biosynthetic processsearch negative regulation of cell cyclesearch hair cyclesearch prostaglandin metabolic processsearch angiogenesissearch positive regulation of cell migration involved in sprouting angiogenesissearch cellular response to UVsearch lipid metabolic processsearch positive regulation of brown fat cell differentiationsearch response to cytokinesearch sensory perception of painsearch lipid bindingsearch prostaglandin-endoperoxide synthase activitysearch protein homodimerization activitysearch heme bindingsearch peroxidase activitysearch oxidoreductase activitysearch oxidoreductase activity, acting on single donors with incorporation of molecular oxygen, incorporation of two atoms of oxygensearch enzyme bindingsearch dioxygenase activitysearch metal ion bindingsearch endoplasmic reticulum membranesearch protein complexsearch endoplasmic reticulumsearch membranesearch intracellular membrane-bounded organellesearch neuron projectionsearch cytoplasmsearch organelle membranesearch

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