3RR3

Structure of (R)-flurbiprofen bound to mCOX-2

Summary for 3RR3

DescriptorProstaglandin G/H synthase 2, N-ACETYL-D-GLUCOSAMINE, PROTOPORPHYRIN IX CONTAINING FE, ... (6 entities in total)
Functional Keywordsflurbiprofen, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor
Biological sourceMus musculus (mouse)
Cellular locationMicrosome membrane; Peripheral membrane protein Q05769
Total number of polymer chains4
Total molecular weight266085.86
Authors
Duggan, K.C.,Hermanson, D.J.,Musee, J.,Prusakiewicz, J.J.,Scheib, J.,Carter, B.D.,Banerjee, S.,Oates, J.A.,Marnett, L.J. (deposition date: 2011-04-28, release date: 2011-11-09, Last modification date: 2012-03-21)
Primary citation
Duggan, K.C.,Hermanson, D.J.,Musee, J.,Prusakiewicz, J.J.,Scheib, J.L.,Carter, B.D.,Banerjee, S.,Oates, J.A.,Marnett, L.J.
(R)-Profens are substrate-selective inhibitors of endocannabinoid oxygenation by COX-2.
Nat.Chem.Biol., 7:803-809, 2011
PubMed: 22053353 (PDB entries with the same primary citation)
DOI: 10.1038/nchembio.663
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (2.842 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.239151.3%11.6%1.0%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution