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==Fragment-based approach to the design of ligands targeting a novel site on HIV-1 integrase== | ==Fragment-based approach to the design of ligands targeting a novel site on HIV-1 integrase== | ||
<StructureSection load='3ao2' size='340' side='right' caption='[[3ao2]], [[Resolution|resolution]] 1.80Å' scene=''> | <StructureSection load='3ao2' size='340' side='right'caption='[[3ao2]], [[Resolution|resolution]] 1.80Å' scene=''> | ||
== Structural highlights == | == Structural highlights == | ||
<table><tr><td colspan='2'>[[3ao2]] is a 2 chain structure with sequence from [ | <table><tr><td colspan='2'>[[3ao2]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/9hiv1 9hiv1]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3AO2 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3AO2 FirstGlance]. <br> | ||
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=AVX:3-(7-BROMO-1,3-BENZODIOXOL-5-YL)-1-METHYL-1H-PYRAZOL-5-AMINE'>AVX</scene>, <scene name='pdbligand=CD:CADMIUM+ION'>CD</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=DTT:2,3-DIHYDROXY-1,4-DITHIOBUTANE'>DTT</scene>, <scene name='pdbligand=DTV:(2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL'>DTV</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr> | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=AVX:3-(7-BROMO-1,3-BENZODIOXOL-5-YL)-1-METHYL-1H-PYRAZOL-5-AMINE'>AVX</scene>, <scene name='pdbligand=CD:CADMIUM+ION'>CD</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=DTT:2,3-DIHYDROXY-1,4-DITHIOBUTANE'>DTT</scene>, <scene name='pdbligand=DTV:(2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL'>DTV</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr> | ||
<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[1bl3|1bl3]], [[3l3u|3l3u]], [[3ovn|3ovn]], [[3ao1|3ao1]], [[3ao3|3ao3]], [[3ao4|3ao4]], [[3ao5|3ao5]]</td></tr> | <tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[1bl3|1bl3]], [[3l3u|3l3u]], [[3ovn|3ovn]], [[3ao1|3ao1]], [[3ao3|3ao3]], [[3ao4|3ao4]], [[3ao5|3ao5]]</div></td></tr> | ||
<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">pol ([ | <tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">pol ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=11676 9HIV1])</td></tr> | ||
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[ | <tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=3ao2 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3ao2 OCA], [https://pdbe.org/3ao2 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3ao2 RCSB], [https://www.ebi.ac.uk/pdbsum/3ao2 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3ao2 ProSAT]</span></td></tr> | ||
</table> | </table> | ||
__TOC__ | __TOC__ | ||
</StructureSection> | </StructureSection> | ||
[[Category: Large Structures]] | |||
[[Category: Chalmers, D K]] | [[Category: Chalmers, D K]] | ||
[[Category: Headey, S J]] | [[Category: Headey, S J]] | ||
Revision as of 17:58, 29 December 2021
Fragment-based approach to the design of ligands targeting a novel site on HIV-1 integraseFragment-based approach to the design of ligands targeting a novel site on HIV-1 integrase
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