2vw5

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[[Image:2vw5.png|left|200px]]
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==STRUCTURE OF THE HSP90 INHIBITOR 7-O-CARBAMOYLPREMACBECIN BOUND TO THE N- TERMINUS OF YEAST HSP90==
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<StructureSection load='2vw5' size='340' side='right' caption='[[2vw5]], [[Resolution|resolution]] 1.90&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[2vw5]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/Saccharomyces_cerevisiae Saccharomyces cerevisiae]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2VW5 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2VW5 FirstGlance]. <br>
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</td></tr><tr><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=BC6:(4E,8S,9R,10E,12S,13R,14S,16R)-13,20-DIHYDROXY-14-METHOXY-4,8,10,12,16-PENTAMETHYL-3-OXO-2-AZABICYCLO[16.3.1]DOCOSA-1(22),4,10,18,20-PENTAEN-9-YL+CARBAMATE'>BC6</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene><br>
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<tr><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[1hk7|1hk7]], [[1a4h|1a4h]], [[1us7|1us7]], [[2bre|2bre]], [[2cg9|2cg9]], [[1ah6|1ah6]], [[1usv|1usv]], [[1bgq|1bgq]], [[2iws|2iws]], [[1amw|1amw]], [[2brc|2brc]], [[1zwh|1zwh]], [[1usu|1usu]], [[1ah8|1ah8]], [[2cgf|2cgf]], [[2iwu|2iwu]], [[1am1|1am1]], [[2vls|2vls]], [[2iwx|2iwx]], [[2cge|2cge]], [[1zw9|1zw9]], [[2akp|2akp]]</td></tr>
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<tr><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2vw5 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2vw5 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2vw5 RCSB], [http://www.ebi.ac.uk/pdbsum/2vw5 PDBsum]</span></td></tr>
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<table>
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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/vw/2vw5_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/chain_selection.php?pdb_ID=2ata 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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A biosynthetic medicinal chemistry approach was applied to the optimization of the natural product Hsp90 inhibitor macbecin. By genetic engineering, mutants have been created to produce novel macbecin analogues including a nonquinone compound (5) that has significantly improved binding affinity to Hsp90 (Kd 3 nM vs 240 nM for macbecin) and reduced toxicity (MTD &gt; or = 250 mg/kg). Structural flexibility may contribute to the preorganization of 5 to exist in solution in the Hsp90-bound conformation.
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{{STRUCTURE_2vw5| PDB=2vw5 | SCENE= }}
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Optimizing natural products by biosynthetic engineering: discovery of nonquinone Hsp90 inhibitors.,Zhang MQ, Gaisser S, Nur-E-Alam M, Sheehan LS, Vousden WA, Gaitatzis N, Peck G, Coates NJ, Moss SJ, Radzom M, Foster TA, Sheridan RM, Gregory MA, Roe SM, Prodromou C, Pearl L, Boyd SM, Wilkinson B, Martin CJ J Med Chem. 2008 Sep 25;51(18):5494-7. PMID:18800759<ref>PMID:18800759</ref>
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===STRUCTURE OF THE HSP90 INHIBITOR 7-O-CARBAMOYLPREMACBECIN BOUND TO THE N- TERMINUS OF YEAST HSP90===
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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</div>
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{{ABSTRACT_PUBMED_18800759}}
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==About this Structure==
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[[2vw5]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/Saccharomyces_cerevisiae Saccharomyces cerevisiae]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2VW5 OCA].
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==See Also==
==See Also==
*[[Heat Shock Proteins|Heat Shock Proteins]]
*[[Heat Shock Proteins|Heat Shock Proteins]]
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== References ==
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==Reference==
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<references/>
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<ref group="xtra">PMID:018800759</ref><references group="xtra"/>
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__TOC__
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</StructureSection>
[[Category: Saccharomyces cerevisiae]]
[[Category: Saccharomyces cerevisiae]]
[[Category: Pearl, L H.]]
[[Category: Pearl, L H.]]

Revision as of 09:15, 29 September 2014

STRUCTURE OF THE HSP90 INHIBITOR 7-O-CARBAMOYLPREMACBECIN BOUND TO THE N- TERMINUS OF YEAST HSP90

2vw5, resolution 1.90Å

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OCA

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