3ln1 Summary


Structure of celecoxib bound at the COX-2 active site

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

Chain InterPro annotation
A, B, C, D Epidermal growth factor-like domainsearch Haem peroxidase, animalsearch Haem peroxidasesearch Haem peroxidase, animal, subgroupsearch