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2bkt

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[[Image:2bkt.gif|left|200px]]<br />
 
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<applet load="2bkt" size="450" color="white" frame="true" align="right" spinBox="true"
 
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caption="2bkt, resolution 2.3&Aring;" />
 
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'''CRYSTAL STRUCTURE OF RENIN-PF00257567 COMPLEX'''<br />
 
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==Overview==
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==crystal structure of renin-pf00257567 complex==
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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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<StructureSection load='2bkt' size='340' side='right'caption='[[2bkt]], [[Resolution|resolution]] 2.30&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[2bkt]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2BKT OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2BKT FirstGlance]. <br>
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</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.3&#8491;</td></tr>
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=RPF:1-{4-[3-(2-METHOXY-BENZYLOXY)-PROPOXY]-PHENYL}-6-(1,2,,3,4-TETRAHYDRO-QUINOLIN-7-YLOXYMETHYL)-PIPERAZIN-2-ONE'>RPF</scene></td></tr>
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=2bkt FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2bkt OCA], [https://pdbe.org/2bkt PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2bkt RCSB], [https://www.ebi.ac.uk/pdbsum/2bkt PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2bkt ProSAT]</span></td></tr>
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</table>
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== Disease ==
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[https://www.uniprot.org/uniprot/RENI_HUMAN RENI_HUMAN] Defects in REN are a cause of renal tubular dysgenesis (RTD) [MIM:[https://omim.org/entry/267430 267430]. RTD is an autosomal recessive severe disorder of renal tubular development characterized by persistent fetal anuria and perinatal death, probably due to pulmonary hypoplasia from early-onset oligohydramnios (the Potter phenotype).<ref>PMID:16116425</ref> Defects in REN are the cause of familial juvenile hyperuricemic nephropathy type 2 (HNFJ2) [MIM:[https://omim.org/entry/613092 613092]. It is a renal disease characterized by juvenile onset of hyperuricemia, slowly progressive renal failure and anemia.<ref>PMID:19664745</ref>
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== Function ==
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[https://www.uniprot.org/uniprot/RENI_HUMAN RENI_HUMAN] Renin is a highly specific endopeptidase, whose only known function is to generate angiotensin I from angiotensinogen in the plasma, initiating a cascade of reactions that produce an elevation of blood pressure and increased sodium retention by the kidney.
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== Evolutionary Conservation ==
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[[Image:Consurf_key_small.gif|200px|right]]
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Check<jmol>
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<jmolCheckbox>
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<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/bk/2bkt_consurf.spt"</scriptWhenChecked>
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<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
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<text>to colour the structure by Evolutionary Conservation</text>
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</jmolCheckbox>
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</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=2bkt ConSurf].
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<div style="clear:both"></div>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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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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==About this Structure==
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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<ref>PMID:15837327</ref>
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2BKT is a [[http://en.wikipedia.org/wiki/Single_protein Single protein]] structure of sequence from [[http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]] with RPF as [[http://en.wikipedia.org/wiki/ligand ligand]]. Active as [[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]]. Structure known Active Site: AC1. Full crystallographic information is available from [[http://ispc.weizmann.ac.il/oca-bin/ocashort?id=2BKT OCA]].
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==Reference==
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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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:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=15837327 15837327]
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</div>
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[[Category: Homo sapiens]]
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<div class="pdbe-citations 2bkt" style="background-color:#fffaf0;"></div>
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[[Category: Renin]]
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[[Category: Single protein]]
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[[Category: Bryant, J.W.]]
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[[Category: Clay, E.H.]]
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[[Category: Edmunds, J.J.]]
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[[Category: Holsworth, D.D.]]
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[[Category: Jalaie, M.]]
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[[Category: Powell, N.A.]]
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[[Category: Ryan, J.M.]]
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[[Category: Zhang, E.]]
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[[Category: RPF]]
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[[Category: aspartyl protease]]
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[[Category: hydrolase]]
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[[Category: renin]]
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''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Tue Oct 30 14:07:27 2007''
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==See Also==
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*[[Renin|Renin]]
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== References ==
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<references/>
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__TOC__
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</StructureSection>
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[[Category: Homo sapiens]]
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[[Category: Large Structures]]
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[[Category: Bryant JW]]
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[[Category: Clay EH]]
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[[Category: Edmunds JJ]]
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[[Category: Holsworth DD]]
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[[Category: Jalaie M]]
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[[Category: Powell NA]]
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[[Category: Ryan JM]]
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[[Category: Zhang E]]

Current revision

crystal structure of renin-pf00257567 complex

PDB ID 2bkt

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