2bks

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|SITE= <scene name='pdbsite=AC1:Pz1+Binding+Site+For+Chain+A'>AC1</scene>
|SITE= <scene name='pdbsite=AC1:Pz1+Binding+Site+For+Chain+A'>AC1</scene>
|LIGAND= <scene name='pdbligand=PZ1:(6R)-6-({[1-(3-HYDROXYPROPYL)-1,7-DIHYDROQUINOLIN-7-YL]OXY}METHYL)-1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)PIPERAZIN-2-ONE'>PZ1</scene>
|LIGAND= <scene name='pdbligand=PZ1:(6R)-6-({[1-(3-HYDROXYPROPYL)-1,7-DIHYDROQUINOLIN-7-YL]OXY}METHYL)-1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)PIPERAZIN-2-ONE'>PZ1</scene>
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|ACTIVITY= [http://en.wikipedia.org/wiki/Renin Renin], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.23.15 3.4.23.15]
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|ACTIVITY= <span class='plainlinks'>[http://en.wikipedia.org/wiki/Renin Renin], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.23.15 3.4.23.15] </span>
|GENE=
|GENE=
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|DOMAIN=
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|RELATEDENTRY=
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2bks FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2bks OCA], [http://www.ebi.ac.uk/pdbsum/2bks PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2bks RCSB]</span>
}}
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==Overview==
==Overview==
We have found that both enantiomeric configurations of the 6-alkoxymethyl-1-aryl-2-piperazinone scaffold display equipotent renin inhibition activity and similar SAR patterns. This enantiomeric flexibility is in contrast to a previously reported 3-alkoxymethyl-4-arylpiperidine scaffold.
We have found that both enantiomeric configurations of the 6-alkoxymethyl-1-aryl-2-piperazinone scaffold display equipotent renin inhibition activity and similar SAR patterns. This enantiomeric flexibility is in contrast to a previously reported 3-alkoxymethyl-4-arylpiperidine scaffold.
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==Disease==
 
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Known diseases associated with this structure: Hyperproreninemia OMIM:[[http://www.ncbi.nlm.nih.gov/entrez/dispomim.cgi?id=179820 179820]], Renal tubular dysgenesis OMIM:[[http://www.ncbi.nlm.nih.gov/entrez/dispomim.cgi?id=179820 179820]]
 
==About this Structure==
==About this Structure==
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[[Category: Ryan, J M.]]
[[Category: Ryan, J M.]]
[[Category: Zhang, E.]]
[[Category: Zhang, E.]]
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[[Category: PZ1]]
 
[[Category: aspartic proteinase]]
[[Category: aspartic proteinase]]
[[Category: aspartyl protease]]
[[Category: aspartyl protease]]
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[[Category: zymogen]]
[[Category: zymogen]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 16:03:14 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 02:07:53 2008''

Revision as of 23:07, 30 March 2008

Image:2bks.gif


PDB ID 2bks

Drag the structure with the mouse to rotate
, resolution 2.2Å
Sites:
Ligands:
Activity: Renin, with EC number 3.4.23.15
Resources: FirstGlance, OCA, PDBsum, RCSB
Coordinates: save as pdb, mmCIF, xml



CRYSTAL STRUCTURE OF RENIN-PF00074777 COMPLEX


Overview

We have found that both enantiomeric configurations of the 6-alkoxymethyl-1-aryl-2-piperazinone scaffold display equipotent renin inhibition activity and similar SAR patterns. This enantiomeric flexibility is in contrast to a previously reported 3-alkoxymethyl-4-arylpiperidine scaffold.

About this Structure

2BKS is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.

Reference

Equipotent activity in both enantiomers of a series of ketopiperazine-based renin inhibitors., Powell NA, Clay EH, Holsworth DD, Bryant JW, Ryan MJ, Jalaie M, Zhang E, Edmunds JJ, Bioorg Med Chem Lett. 2005 May 2;15(9):2371-4. PMID:15837327

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