3KK6

Crystal Structure of Cyclooxygenase-1 in complex with celecoxib

Summary for 3KK6

• Entry DOI: 10.2210/pdb3kk6/pdb
• Descriptor: Prostaglandin G/H synthase 1, alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... (9 entities in total)
• Functional Keywords: cox-1, cyclooxygenase, peroxidase, prostaglandin, heme, celecoxib, merohedral twinned, dioxygenase, disulfide bond, egf-like domain, endoplasmic reticulum, fatty acid biosynthesis, glycoprotein, iron, lipid synthesis, membrane, metal-binding, microsome, oxidoreductase, prostaglandin biosynthesis, transmembrane
• Biological source: Ovis aries (domestic sheep,lambs,wild sheep)
• Total number of polymer chains: 2
• Total formula weight: 133735.28

Authors

Sidhu, R.S. (deposition date: 2009-11-04, release date: 2009-12-15, Last modification date: 2023-09-06)

• Primary citation: Rimon, G.,Sidhu, R.S.,Lauver, D.A.,Lee, J.Y.,Sharma, N.P.,Yuan, C.,Frieler, R.A.,Trievel, R.C.,Lucchesi, B.R.,Smith, W.L.; Coxibs interfere with the action of aspirin by binding tightly to one monomer of cyclooxygenase-1.; Proc.Natl.Acad.Sci.USA, 107:28-33, 2010; PubMed: 19955429; DOI: 10.1073/pnas.0909765106

Experimental method

X-RAY DIFFRACTION (2.75 Å)