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5ajr

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==Sterol 14-alpha demethylase (CYP51) from Trypanosoma cruzi in complex with the 1-tetrazole derivative VT-1161 ((R)-2-(2,4-Difluorophenyl)-1, 1-difluoro-3-(1H-tetrazol-1-yl)-1-(5-(4-(2,2,2-trifluoroethoxy)phenyl) pyridin-2-yl)propan-2-ol)==
==Sterol 14-alpha demethylase (CYP51) from Trypanosoma cruzi in complex with the 1-tetrazole derivative VT-1161 ((R)-2-(2,4-Difluorophenyl)-1, 1-difluoro-3-(1H-tetrazol-1-yl)-1-(5-(4-(2,2,2-trifluoroethoxy)phenyl) pyridin-2-yl)propan-2-ol)==
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<StructureSection load='5ajr' size='340' side='right' caption='[[5ajr]], [[Resolution|resolution]] 2.75&Aring;' scene=''>
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<StructureSection load='5ajr' size='340' side='right'caption='[[5ajr]], [[Resolution|resolution]] 2.75&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[5ajr]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5AJR OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5AJR FirstGlance]. <br>
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<table><tr><td colspan='2'>[[5ajr]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Trypanosoma_cruzi Trypanosoma cruzi]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5AJR OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5AJR FirstGlance]. <br>
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</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=VT1:(R)-2-(2,4-DIFLUOROPHENYL)-1,1-DIFLUORO-3-(1H-TETRAZOL-1-YL)-1-(5-(4-(2,2,2-TRIFLUOROETHOXY)PHENYL)PYRIDIN-2-YL)PROPAN-2-OL'>VT1</scene></td></tr>
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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]] 2.75&#8491;</td></tr>
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<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Sterol_14-demethylase Sterol 14-demethylase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.14.13.70 1.14.13.70] </span></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=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene>, <scene name='pdbligand=VT1:(R)-2-(2,4-DIFLUOROPHENYL)-1,1-DIFLUORO-3-(1H-TETRAZOL-1-YL)-1-(5-(4-(2,2,2-TRIFLUOROETHOXY)PHENYL)PYRIDIN-2-YL)PROPAN-2-OL'>VT1</scene></td></tr>
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<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=5ajr FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5ajr OCA], [http://pdbe.org/5ajr PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5ajr RCSB], [http://www.ebi.ac.uk/pdbsum/5ajr PDBsum]</span></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=5ajr FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5ajr OCA], [https://pdbe.org/5ajr PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5ajr RCSB], [https://www.ebi.ac.uk/pdbsum/5ajr PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5ajr ProSAT]</span></td></tr>
</table>
</table>
== Function ==
== Function ==
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[[http://www.uniprot.org/uniprot/CP51_TRYCC CP51_TRYCC]] Catalyzes C14-demethylation of lanosterol which is critical for ergosterol biosynthesis. It transforms lanosterol into 4,4'-dimethyl cholesta-8,14,24-triene-3-beta-ol (By similarity). Favors C4 dimethylated substrates, the substrate preference order is 24-methylenedihydrolanosterol > 24,25-dihydrolanosterol > lanosterol > obtusifoliol > norlanosterol.<ref>PMID:16321980</ref> [UniProtKB:P0A512]
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[https://www.uniprot.org/uniprot/CP51_TRYCC CP51_TRYCC] Catalyzes C14-demethylation of lanosterol which is critical for ergosterol biosynthesis. It transforms lanosterol into 4,4'-dimethyl cholesta-8,14,24-triene-3-beta-ol (By similarity). Favors C4 dimethylated substrates, the substrate preference order is 24-methylenedihydrolanosterol > 24,25-dihydrolanosterol > lanosterol > obtusifoliol > norlanosterol.<ref>PMID:16321980</ref> [UniProtKB:P0A512]
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== Publication Abstract from PubMed ==
== Publication Abstract from PubMed ==
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__TOC__
__TOC__
</StructureSection>
</StructureSection>
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[[Category: Sterol 14-demethylase]]
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[[Category: Large Structures]]
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[[Category: Hoekstra, W]]
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[[Category: Trypanosoma cruzi]]
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[[Category: Lepesheva, G I]]
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[[Category: Hoekstra W]]
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[[Category: Wawrzak, Z]]
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[[Category: I Lepesheva G]]
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[[Category: Cyp51]]
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[[Category: Wawrzak Z]]
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[[Category: Cytochrome p450]]
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[[Category: Cytochrome p450 fold]]
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[[Category: Endoplasmic reticulum membrane]]
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[[Category: Eukaryotic membrane]]
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[[Category: Monooxygenase]]
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[[Category: Oxidoreductase]]
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[[Category: Sterol biosynthesis]]
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Current revision

Sterol 14-alpha demethylase (CYP51) from Trypanosoma cruzi in complex with the 1-tetrazole derivative VT-1161 ((R)-2-(2,4-Difluorophenyl)-1, 1-difluoro-3-(1H-tetrazol-1-yl)-1-(5-(4-(2,2,2-trifluoroethoxy)phenyl) pyridin-2-yl)propan-2-ol)

PDB ID 5ajr

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