4ze1: Difference between revisions

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 ==Saccharomyces cerevisiae CYP51 Y140F mutant complexed with posaconazole in the active site==
-<StructureSection load='4ze1' size='340' side='right' caption='[[4ze1]], [[Resolution|resolution]] 2.05&Aring;' scene=''>
+<StructureSection load='4ze1' size='340' side='right'caption='[[4ze1]], [[Resolution|resolution]] 2.05&Aring;' scene=''>
 == Structural highlights ==
-<table><tr><td colspan='2'>[[4ze1]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4ZE1 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4ZE1 FirstGlance]. <br>
+<table><tr><td colspan='2'>[[4ze1]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Saccharomyces_cerevisiae_YJM789 Saccharomyces cerevisiae YJM789]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4ZE1 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4ZE1 FirstGlance]. <br>
-</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene>, <scene name='pdbligand=X2N:POSACONAZOLE'>X2N</scene></td></tr>
+</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.05&#8491;</td></tr>
-<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[4lxj|4lxj]], [[4k0f|4k0f]], [[4wmz|4wmz]]</td></tr>
+<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene>, <scene name='pdbligand=X2N:POSACONAZOLE'>X2N</scene></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=4ze1 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4ze1 OCA], [http://pdbe.org/4ze1 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4ze1 RCSB], [http://www.ebi.ac.uk/pdbsum/4ze1 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4ze1 ProSAT]</span></td></tr>
+<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=4ze1 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4ze1 OCA], [https://pdbe.org/4ze1 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4ze1 RCSB], [https://www.ebi.ac.uk/pdbsum/4ze1 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4ze1 ProSAT]</span></td></tr>
 </table>
-<div style="background-color:#fffaf0;">
+== Function ==
-== Publication Abstract from PubMed ==
+[https://www.uniprot.org/uniprot/A6ZSR0_YEAS7 A6ZSR0_YEAS7]
-Emergence of fungal strains showing resistance to triazole drugs can make treatment of fungal disease problematic. Triazole resistance can arise due to single mutations in the drug target lanosterol 14alpha-demethylase (Erg11p/CYP51). We have determined how commonly occurring single site mutations in pathogenic fungi affect triazole binding using Saccharomyces cerevisiae Erg11p (ScErg11p) as a target surrogate. The mutations Y140F/H were introduced into full-length hexahistidine-tagged ScErg11p. Phenotypes and high-resolution X-ray crystal structures were determined for the mutant enzymes complexed with short-tailed (fluconazole and voriconazole) or long-tailed (itraconazole and posaconazole) triazoles and wild type enzyme complexed with voriconazole. The mutations disrupted a water-mediated hydrogen bond network involved in binding of short-tailed triazoles, which contain a tertiary hydroxyl not present in long-tailed triazoles. This appears to be the mechanism by which resistance to these short chain azoles occurs. Understanding how these mutations affect drug affinity will aid the design of azoles that overcome resistance.
-Triazole resistance mediated by mutations of a conserved active site tyrosine in fungal lanosterol 14alpha-demethylase.,Sagatova AA, Keniya MV, Wilson RK, Sabherwal M, Tyndall JD, Monk BC Sci Rep. 2016 May 18;6:26213. doi: 10.1038/srep26213. PMID:27188873<ref>PMID:27188873</ref>
+==See Also==
+*[[Cytochrome P450 3D structures|Cytochrome P450 3D structures]]
-From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
-</div>
-<div class="pdbe-citations 4ze1" style="background-color:#fffaf0;"></div>
-== References ==
-<references/>
 __TOC__
 </StructureSection>
-[[Category: Keniya, M V]]
+[[Category: Large Structures]]
-[[Category: Monk, B C]]
+[[Category: Saccharomyces cerevisiae YJM789]]
-[[Category: Sagatova, A]]
+[[Category: Keniya MV]]
-[[Category: Tyndall, J D.A]]
+[[Category: Monk BC]]
-[[Category: Wilson, R]]
+[[Category: Sagatova A]]
-[[Category: Cyp51]]
+[[Category: Tyndall JDA]]
-[[Category: Oxidoreductase-oxidoreductase inhibitor complex]]
+[[Category: Wilson R]]
-[[Category: Resistance mutation]]