3LN1

Structure of celecoxib bound at the COX-2 active site

Summary for 3LN1

• Entry DOI: 10.2210/pdb3ln1/pdb
• Related: 6COX
• Related PRD ID: PRD_900017
• Descriptor: Prostaglandin G/H synthase 2, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... (7 entities in total)
• Functional Keywords: cox2, cox-2, pgh2s-2, cyclooxygenase-2, dioxygenase, disulfide bond, endoplasmic reticulum, fatty acid biosynthesis, glycoprotein, heme, iron, lipid synthesis, membrane, metal-binding, microsome, oxidoreductase, peroxidase, phosphoprotein, prostaglandin biosynthesis
• Biological source: Mus musculus (mouse)
• Total number of polymer chains: 4
• Total formula weight: 278187.06

Authors

Kiefer, J.R.,Kurumbail, R.G.,Stallings, W.C.,Pawlitz, J.L. (deposition date: 2010-02-01, release date: 2010-10-27, Last modification date: 2020-07-29)

• Primary citation: Wang, J.L.,Limburg, D.,Graneto, M.J.,Springer, J.,Hamper, J.R.,Liao, S.,Pawlitz, J.L.,Kurumbail, R.G.,Maziasz, T.,Talley, J.J.,Kiefer, J.R.,Carter, J.; The novel benzopyran class of selective cyclooxygenase-2 inhibitors. Part 2: The second clinical candidate having a shorter and favorable human half-life.; Bioorg.Med.Chem.Lett., 20:7159-7163, 2010; PubMed: 20709553; DOI: 10.1016/j.bmcl.2010.07.054

Experimental method

X-RAY DIFFRACTION (2.4 Å)