1diy
From Proteopedia
(New page: 200px<br /><applet load="1diy" size="450" color="white" frame="true" align="right" spinBox="true" caption="1diy, resolution 3.0Å" /> '''CRYSTAL STRUCTURE OF ...) |
|||
| Line 1: | Line 1: | ||
| - | [[Image:1diy.gif|left|200px]]<br /><applet load="1diy" size=" | + | [[Image:1diy.gif|left|200px]]<br /><applet load="1diy" size="350" color="white" frame="true" align="right" spinBox="true" |
caption="1diy, resolution 3.0Å" /> | caption="1diy, resolution 3.0Å" /> | ||
'''CRYSTAL STRUCTURE OF ARACHIDONIC ACID BOUND IN THE CYCLOOXYGENASE ACTIVE SITE OF PGHS-1'''<br /> | '''CRYSTAL STRUCTURE OF ARACHIDONIC ACID BOUND IN THE CYCLOOXYGENASE ACTIVE SITE OF PGHS-1'''<br /> | ||
==Overview== | ==Overview== | ||
| - | Prostaglandin H synthase-1 and -2 (PGHS-1 and -2) catalyze the committed | + | Prostaglandin H synthase-1 and -2 (PGHS-1 and -2) catalyze the committed step in prostaglandin synthesis and are targets for nonsteroidal anti-inflammatory drugs (NSAIDs) like aspirin. We have determined the structure of PGHS-1 at 3 angstrom resolution with arachidonic acid (AA) bound in a chemically productive conformation. The fatty acid adopts an extended L-shaped conformation that positions the 13proS hydrogen of AA for abstraction by tyrosine-385, the likely radical donor. A space also exists for oxygen addition on the antarafacial surface of the carbon in the 11-position (C-11). While this conformation allows endoperoxide formation between C-11 and C-9, it also implies that a subsequent conformational rearrangement must occur to allow formation of the C-8/C-12 bond and to position C-15 for attack by a second molecule of oxygen. |
==About this Structure== | ==About this Structure== | ||
| - | 1DIY is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Ovis_aries Ovis aries] with BOG, COH and ACD as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [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] Full crystallographic information is available from [http:// | + | 1DIY is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Ovis_aries Ovis aries] with <scene name='pdbligand=BOG:'>BOG</scene>, <scene name='pdbligand=COH:'>COH</scene> and <scene name='pdbligand=ACD:'>ACD</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [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] Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1DIY OCA]. |
==Reference== | ==Reference== | ||
| Line 14: | Line 14: | ||
[[Category: Prostaglandin-endoperoxide synthase]] | [[Category: Prostaglandin-endoperoxide synthase]] | ||
[[Category: Single protein]] | [[Category: Single protein]] | ||
| - | [[Category: Garavito, R | + | [[Category: Garavito, R M.]] |
| - | [[Category: Ginell, S | + | [[Category: Ginell, S L.]] |
| - | [[Category: Malkowski, M | + | [[Category: Malkowski, M G.]] |
| - | [[Category: Smith, W | + | [[Category: Smith, W L.]] |
[[Category: ACD]] | [[Category: ACD]] | ||
[[Category: BOG]] | [[Category: BOG]] | ||
| Line 26: | Line 26: | ||
[[Category: peroxidase]] | [[Category: peroxidase]] | ||
| - | ''Page seeded by [http:// | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 12:17:04 2008'' |
Revision as of 10:17, 21 February 2008
|
CRYSTAL STRUCTURE OF ARACHIDONIC ACID BOUND IN THE CYCLOOXYGENASE ACTIVE SITE OF PGHS-1
Overview
Prostaglandin H synthase-1 and -2 (PGHS-1 and -2) catalyze the committed step in prostaglandin synthesis and are targets for nonsteroidal anti-inflammatory drugs (NSAIDs) like aspirin. We have determined the structure of PGHS-1 at 3 angstrom resolution with arachidonic acid (AA) bound in a chemically productive conformation. The fatty acid adopts an extended L-shaped conformation that positions the 13proS hydrogen of AA for abstraction by tyrosine-385, the likely radical donor. A space also exists for oxygen addition on the antarafacial surface of the carbon in the 11-position (C-11). While this conformation allows endoperoxide formation between C-11 and C-9, it also implies that a subsequent conformational rearrangement must occur to allow formation of the C-8/C-12 bond and to position C-15 for attack by a second molecule of oxygen.
About this Structure
1DIY is a Single protein structure of sequence from Ovis aries with , and as ligands. Active as Prostaglandin-endoperoxide synthase, with EC number 1.14.99.1 Full crystallographic information is available from OCA.
Reference
The productive conformation of arachidonic acid bound to prostaglandin synthase., Malkowski MG, Ginell SL, Smith WL, Garavito RM, Science. 2000 Sep 15;289(5486):1933-7. PMID:10988074
Page seeded by OCA on Thu Feb 21 12:17:04 2008
