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1db5

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(New page: 200px<br /> <applet load="1db5" size="450" color="white" frame="true" align="right" spinBox="true" caption="1db5, resolution 2.80&Aring;" /> '''HUMAN S-PLA2 IN COM...)
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[[Image:1db5.gif|left|200px]]<br />
 
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<applet load="1db5" size="450" color="white" frame="true" align="right" spinBox="true"
 
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caption="1db5, resolution 2.80&Aring;" />
 
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'''HUMAN S-PLA2 IN COMPLEX WITH INDOLE 6'''<br />
 
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==Overview==
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==HUMAN S-PLA2 IN COMPLEX WITH INDOLE 6==
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A lead compound obtained from a high volume human non-pancreatic secretory, phospholipase A2 (hnps-PLA2) screen has been developed into a potent, inhibitor using detailed structural knowledge of inhibitor binding to the, enzyme active site. Four crystal structures of hnps-PLA2 complexed with a, series of increasingly potent indole inhibitors were determined and used, as the structural basis for both understanding this binding and providing, valuable insights for further development. The application of, structure-based drug design has made possible improvements in the binding, of this screening lead to the enzyme by nearly three orders of magnitude., Furthermore, the optimized structure (LY311727) displayed 1,500-fold, selectivity when assayed against porcine pancreatic s-PLA2.
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<StructureSection load='1db5' size='340' side='right'caption='[[1db5]], [[Resolution|resolution]] 2.80&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[1db5]] is a 1 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=1DB5 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1DB5 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]] 2.8&#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=6IN:4-(1-BENZYL-3-CARBAMOYLMETHYL-2-METHYL-1H-INDOL-5-YLOXY)-BUTYRIC+ACID'>6IN</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</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=1db5 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1db5 OCA], [https://pdbe.org/1db5 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1db5 RCSB], [https://www.ebi.ac.uk/pdbsum/1db5 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1db5 ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/PA2GA_HUMAN PA2GA_HUMAN] Thought to participate in the regulation of the phospholipid metabolism in biomembranes including eicosanoid biosynthesis. Catalyzes the calcium-dependent hydrolysis of the 2-acyl groups in 3-sn-phosphoglycerides.
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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/db/1db5_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=1db5 ConSurf].
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<div style="clear:both"></div>
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==Disease==
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==See Also==
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Known diseases associated with this structure: Colorectal cancer, sporadic OMIM:[[http://www.ncbi.nlm.nih.gov/entrez/dispomim.cgi?id=172411 172411]]
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*[[Phospholipase A2 3D structures|Phospholipase A2 3D structures]]
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__TOC__
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==About this Structure==
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</StructureSection>
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1DB5 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 CA and 6IN as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [http://en.wikipedia.org/wiki/Phospholipase_A(2) Phospholipase A(2)], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.1.1.4 3.1.1.4] Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=1DB5 OCA].
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==Reference==
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Structure-based design of the first potent and selective inhibitor of human non-pancreatic secretory phospholipase A2., Schevitz RW, Bach NJ, Carlson DG, Chirgadze NY, Clawson DK, Dillard RD, Draheim SE, Hartley LW, Jones ND, Mihelich ED, et al., Nat Struct Biol. 1995 Jun;2(6):458-65. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=7664108 7664108]
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[[Category: Homo sapiens]]
[[Category: Homo sapiens]]
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[[Category: Phospholipase A(2)]]
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[[Category: Large Structures]]
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[[Category: Single protein]]
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[[Category: Chirgadze NY]]
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[[Category: Chirgadze, N.Y.]]
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[[Category: Schevitz RW]]
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[[Category: Schevitz, R.W.]]
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[[Category: Wery J-P]]
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[[Category: Wery, J.P.]]
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[[Category: 6IN]]
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[[Category: CA]]
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[[Category: hydrolase/hydrolase inhibitor]]
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[[Category: s-pla2; structure-based drug design]]
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''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Mon Nov 12 16:30:48 2007''
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Current revision

HUMAN S-PLA2 IN COMPLEX WITH INDOLE 6

PDB ID 1db5

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