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5k5e

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<StructureSection load='5k5e' size='340' side='right' caption='[[5k5e]], [[Resolution|resolution]] 2.80&Aring;' scene=''>
<StructureSection load='5k5e' size='340' side='right' caption='[[5k5e]], [[Resolution|resolution]] 2.80&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[5k5e]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5K5E OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5K5E FirstGlance]. <br>
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<table><tr><td colspan='2'>[[5k5e]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5K5E OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5K5E FirstGlance]. <br>
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=6QS:[(2~{R})-OXOLAN-2-YL]METHYL+4-(9-ETHYLCARBAZOL-3-YL)-2-METHYL-5-OXIDANYLIDENE-4,6,7,8-TETRAHYDRO-1~{H}-QUINOLINE-3-CARBOXYLATE'>6QS</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene></td></tr>
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=6QS:[(2~{R})-OXOLAN-2-YL]METHYL+4-(9-ETHYLCARBAZOL-3-YL)-2-METHYL-5-OXIDANYLIDENE-4,6,7,8-TETRAHYDRO-1~{H}-QUINOLINE-3-CARBOXYLATE'>6QS</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene></td></tr>
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<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">BCHE, CHE1 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</td></tr>
<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Cholinesterase Cholinesterase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.1.1.8 3.1.1.8] </span></td></tr>
<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Cholinesterase Cholinesterase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.1.1.8 3.1.1.8] </span></td></tr>
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5k5e FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5k5e OCA], [http://pdbe.org/5k5e PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5k5e RCSB], [http://www.ebi.ac.uk/pdbsum/5k5e PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5k5e ProSAT]</span></td></tr>
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5k5e FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5k5e OCA], [http://pdbe.org/5k5e PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5k5e RCSB], [http://www.ebi.ac.uk/pdbsum/5k5e PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5k5e ProSAT]</span></td></tr>
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</StructureSection>
</StructureSection>
[[Category: Cholinesterase]]
[[Category: Cholinesterase]]
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[[Category: Human]]
[[Category: Brazzolotto, X]]
[[Category: Brazzolotto, X]]
[[Category: Deora, G S]]
[[Category: Deora, G S]]

Revision as of 06:25, 9 May 2018

Discovery and Structure-Activity Relationships of a Highly Selective Butyrylcholinesterase Inhibitor by Structure-Based Virtual Screening

5k5e, resolution 2.80Å

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