4RS0

Crystal Structure of Murine H90W Cyclooxygenase-2 Complexed with S-ibuprofen

Summary for 4RS0

Related4RRW 4RRX 4RRY 4RRZ
DescriptorProstaglandin G/H synthase 2, N-ACETYL-D-GLUCOSAMINE, B-OCTYLGLUCOSIDE, ... (5 entities in total)
Functional Keywordsnsaid, protein-drug complex, prostaglandin-endoperoxide synthase, glycosylation, membrane, oxidoreductase
Biological sourceMus musculus (mouse)
Cellular locationMicrosome membrane; Peripheral membrane protein Q05769
Total number of polymer chains1
Total molecular weight68764.26
Authors
Xu, S.,Blobaum, A.L.,Banerjee, S.,Marnett, L.J. (deposition date: 2014-11-06, release date: 2015-04-08, Last modification date: 2015-06-03)
Primary citation
Blobaum, A.L.,Xu, S.,Rowlinson, S.W.,Duggan, K.C.,Banerjee, S.,Kudalkar, S.N.,Birmingham, W.R.,Ghebreselasie, K.,Marnett, L.J.
Action at a Distance: MUTATIONS OF PERIPHERAL RESIDUES TRANSFORM RAPID REVERSIBLE INHIBITORS TO SLOW, TIGHT BINDERS OF CYCLOOXYGENASE-2.
J.Biol.Chem., 290:12793-12803, 2015
PubMed: 25825493 (PDB entries with the same primary citation)
DOI: 10.1074/jbc.M114.635987
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (2.807 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.205202.2%0.4%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution