1epq: Difference between revisions
New page: left|200px<br /><applet load="1epq" size="450" color="white" frame="true" align="right" spinBox="true" caption="1epq, resolution 1.9Å" /> '''ANALYSES OF LIGAND BI... |
No edit summary |
||
| Line 1: | Line 1: | ||
[[Image:1epq.gif|left|200px]]<br /><applet load="1epq" size=" | [[Image:1epq.gif|left|200px]]<br /><applet load="1epq" size="350" color="white" frame="true" align="right" spinBox="true" | ||
caption="1epq, resolution 1.9Å" /> | caption="1epq, resolution 1.9Å" /> | ||
'''ANALYSES OF LIGAND BINDING IN FIVE ENDOTHIAPEPSIN CRYSTAL COMPLEXES AND THEIR USE IN THE DESIGN AND EVALUATION OF NOVEL RENIN INHIBITORS'''<br /> | '''ANALYSES OF LIGAND BINDING IN FIVE ENDOTHIAPEPSIN CRYSTAL COMPLEXES AND THEIR USE IN THE DESIGN AND EVALUATION OF NOVEL RENIN INHIBITORS'''<br /> | ||
==Overview== | ==Overview== | ||
Five renin inhibitors were cocrystallized with endothiapepsin, a fungal | Five renin inhibitors were cocrystallized with endothiapepsin, a fungal enzyme homologous to renin. Crystal structures of inhibitor-bound complexes have provided invaluable insight regarding the three-dimensional structure of the aspartic proteinase family of enzymes, as well as the steric and polar interactions that occur between the proteins and the bound ligands. Beyond this, subtleties of binding have been revealed, including multiple subsite binding modes and subsite interdependencies. This information has been applied in the design of novel potent renin inhibitors and in the understanding of structure-activity relationships and enzyme selectivities. | ||
==About this Structure== | ==About this Structure== | ||
1EPQ is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/ ] with SO4, SOT and SCC as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [http://en.wikipedia.org/wiki/Endothiapepsin Endothiapepsin], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.23.22 3.4.23.22] Full crystallographic information is available from [http:// | 1EPQ is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/ ] with <scene name='pdbligand=SO4:'>SO4</scene>, <scene name='pdbligand=SOT:'>SOT</scene> and <scene name='pdbligand=SCC:'>SCC</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [http://en.wikipedia.org/wiki/Endothiapepsin Endothiapepsin], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.23.22 3.4.23.22] Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1EPQ OCA]. | ||
==Reference== | ==Reference== | ||
| Line 13: | Line 13: | ||
[[Category: Endothiapepsin]] | [[Category: Endothiapepsin]] | ||
[[Category: Single protein]] | [[Category: Single protein]] | ||
[[Category: Blundell, T | [[Category: Blundell, T L.]] | ||
[[Category: Cooper, J | [[Category: Cooper, J B.]] | ||
[[Category: Dealwis, C.]] | [[Category: Dealwis, C.]] | ||
[[Category: SCC]] | [[Category: SCC]] | ||
| Line 21: | Line 21: | ||
[[Category: hydrolase(acid proteinase)]] | [[Category: hydrolase(acid proteinase)]] | ||
''Page seeded by [http:// | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 12:30:16 2008'' | ||
