1PXX

CRYSTAL STRUCTURE OF DICLOFENAC BOUND TO THE CYCLOOXYGENASE ACTIVE SITE OF COX-2

Summary for 1PXX

Related6COX 1CVU
DescriptorProstaglandin G/H synthase 2, N-ACETYL-D-GLUCOSAMINE, B-OCTYLGLUCOSIDE, ... (6 entities in total)
Functional Keywordscox-2, cyclooxygenase, prostaglandin, diclofenac, endoperoxide, oxidoreductase
Biological sourceMus musculus (house mouse)
Cellular locationMicrosome membrane; Peripheral membrane protein Q05769
Total number of polymer chains4
Total molecular weight285031.1
Authors
Kiefer, J.R.,Rowlinson, S.W.,Prusakiewicz, J.J.,Pawlitz, J.L.,Kozak, K.R.,Kalgutkar, A.S.,Stallings, W.C.,Marnett, L.J.,Kurumbail, R.G. (deposition date: 2003-07-07, release date: 2003-09-09, Last modification date: 2011-07-13)
Primary citation
Rowlinson, S.W.,Kiefer, J.R.,Prusakiewicz, J.J.,Pawlitz, J.L.,Kozak, K.R.,Kalgutkar, A.S.,Stallings, W.C.,Kurumbail, R.G.,Marnett, L.J.
A Novel Mechanism of Cyclooxygenase-2 Inhibition Involving Interactions with Ser-530 and Tyr-385.
J.Biol.Chem., 278:45763-45769, 2003
PubMed: 12925531 (PDB entries with the same primary citation)
DOI: 10.1074/jbc.M305481200
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (2.9 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.294250.3%12.2%2.1%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

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More Biological unit images

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(*)In the case of coarse surface representation, the asymmetric unit is shown as red ribbon representation.
Coordinate files for Biological unit (1pxx.pdb2.gz [192.7 KB])
Coordinate files for Biological unit (1pxx.pdb1.gz [192.31 KB])