First time at Proteopedia? Click on the green links: they change the 3D image. Click and drag the molecules. Proteopedia is a 3D, interactive encyclopedia of proteins, RNA, DNA and other molecules. With a free user account, you can edit pages in Proteopedia. Visit the Main Page to learn more.

1q4g

From Proteopedia

Jump to: navigation, search
1q4g, resolution 2.00Å ()
Ligands: , , , , , , ,
Activity: Prostaglandin-endoperoxide synthase, with EC number 1.14.99.1
Related: 1eqh, 1eqg, 1ht5, 1ht8, 1prh, 1cqe
Resources: FirstGlance, OCA, RCSB, PDBsum
Coordinates: save as pdb, mmCIF, xml


Contents

2.0 Angstrom Crystal Structure of Ovine Prostaglandin H2 Synthase-1, in complex with alpha-methyl-4-biphenylacetic acid

Publication Abstract from PubMed

Prostaglandin H2 synthase (EC 1.14.99.1) is an integral membrane enzyme containing a cyclooxygenase site, which is the target for the non-steroidal anti-inflammatory drugs, and a spatially distinct peroxidase site. Previous crystallographic studies of this clinically important drug target have been hindered by low resolution. We present here the 2.0 A resolution X-ray crystal structure of ovine prostaglandin H2 synthase-1 in complex with alpha-methyl-4-biphenylacetic acid, a defluorinated analog of the non-steroidal anti-inflammatory drug flurbiprofen. Detergent molecules are seen to bind to the protein's membrane-binding domain, and their positions suggest the depth to which this domain is likely to penetrate into the lipid bilayer. The relation of the enzyme's proximal heme ligand His388 to the heme iron is atypical for a peroxidase; the iron-histidine bond is unusually long and a substantial tilt angle is observed between the heme and imidazole planes. A molecule of glycerol, used as a cryoprotectant during diffraction experiments, is seen to bind in the peroxidase site, offering the first view of any ligand in this active site. Insights gained from glycerol binding may prove useful in the design of a peroxidase-specific ligand.

The 2.0 A resolution crystal structure of prostaglandin H2 synthase-1: structural insights into an unusual peroxidase., Gupta K, Selinsky BS, Kaub CJ, Katz AK, Loll PJ, J Mol Biol. 2004 Jan 9;335(2):503-18. PMID:14672659

From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

About this Structure

1q4g is a 2 chain structure with sequence from Ovis aries. Full crystallographic information is available from OCA.

See Also

Reference

  • Gupta K, Selinsky BS, Kaub CJ, Katz AK, Loll PJ. The 2.0 A resolution crystal structure of prostaglandin H2 synthase-1: structural insights into an unusual peroxidase. J Mol Biol. 2004 Jan 9;335(2):503-18. PMID:14672659

Proteopedia Page Contributors and Editors (what is this?)

OCA

Personal tools