1q4g

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spinqualitylabelsall models 1q4g, resolution 2.00Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image

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

Overview

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.

About this Structure

1Q4G is a Single protein structure of sequence from Ovis aries with BOG, BFL, HEM and GOL as ligands. Active as Prostaglandin-endoperoxide synthase, with EC number 1.14.99.1 Full crystallographic information is available from OCA.

Reference

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

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