1q4g
From Proteopedia
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|PDB= 1q4g |SIZE=350|CAPTION= <scene name='initialview01'>1q4g</scene>, resolution 2.00Å | |PDB= 1q4g |SIZE=350|CAPTION= <scene name='initialview01'>1q4g</scene>, resolution 2.00Å | ||
|SITE= | |SITE= | ||
| - | |LIGAND= | + | |LIGAND= <scene name='pdbligand=BFL:2-(1,1'-BIPHENYL-4-YL)PROPANOIC+ACID'>BFL</scene>, <scene name='pdbligand=BMA:BETA-D-MANNOSE'>BMA</scene>, <scene name='pdbligand=BOG:B-OCTYLGLUCOSIDE'>BOG</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene>, <scene name='pdbligand=MAN:ALPHA-D-MANNOSE'>MAN</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene>, <scene name='pdbligand=NDG:2-(ACETYLAMINO)-2-DEOXY-A-D-GLUCOPYRANOSE'>NDG</scene> |
| - | |ACTIVITY= [http://en.wikipedia.org/wiki/Prostaglandin-endoperoxide_synthase Prostaglandin-endoperoxide synthase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.14.99.1 1.14.99.1] | + | |ACTIVITY= <span class='plainlinks'>[http://en.wikipedia.org/wiki/Prostaglandin-endoperoxide_synthase Prostaglandin-endoperoxide synthase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.14.99.1 1.14.99.1] </span> |
|GENE= | |GENE= | ||
| + | |DOMAIN= | ||
| + | |RELATEDENTRY=[[1eqh|1EQH]], [[1eqg|1EQG]], [[1ht5|1HT5]], [[1ht8|1HT8]], [[1prh|1PRH]], [[1cqe|1CQE]] | ||
| + | |RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1q4g FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1q4g OCA], [http://www.ebi.ac.uk/pdbsum/1q4g PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1q4g RCSB]</span> | ||
}} | }} | ||
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[[Category: Loll, P J.]] | [[Category: Loll, P J.]] | ||
[[Category: Selinksy, B S.]] | [[Category: Selinksy, B S.]] | ||
| - | [[Category: BFL]] | ||
| - | [[Category: BOG]] | ||
| - | [[Category: GOL]] | ||
| - | [[Category: HEM]] | ||
[[Category: cyclooxygenase]] | [[Category: cyclooxygenase]] | ||
[[Category: egf-like domain]] | [[Category: egf-like domain]] | ||
| Line 39: | Line 38: | ||
[[Category: prostaglandin synthase]] | [[Category: prostaglandin synthase]] | ||
| - | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Mar 23 | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Mar 30 23:08:51 2008'' |
Revision as of 20:08, 30 March 2008
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| , 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, PDBsum, RCSB | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
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. 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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