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4c27

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==Crystal structure of Trypanosoma cruzi CYP51 bound to the inhibitor (R)-N-(3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-2-fluoro-4-(4-(4-(trifluoromethyl)phenyl)piperazin-1-yl)benzamide==
==Crystal structure of Trypanosoma cruzi CYP51 bound to the inhibitor (R)-N-(3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-2-fluoro-4-(4-(4-(trifluoromethyl)phenyl)piperazin-1-yl)benzamide==
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<StructureSection load='4c27' size='340' side='right' caption='[[4c27]], [[Resolution|resolution]] 1.95&Aring;' scene=''>
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<StructureSection load='4c27' size='340' side='right'caption='[[4c27]], [[Resolution|resolution]] 1.95&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[4c27]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4C27 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4C27 FirstGlance]. <br>
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<table><tr><td colspan='2'>[[4c27]] is a 2 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=4C27 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4C27 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=26N:NALPHA-(2-FLUORO-4-{4-[4-(TRIFLUOROMETHYL)PHENYL]PIPERAZIN-1-YL}BENZOYL)-N-PYRIDIN-4-YL-D-TRYPTOPHANAMIDE'>26N</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</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]] 1.95&#8491;</td></tr>
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<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[4c28|4c28]]</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=26N:NALPHA-(2-FLUORO-4-{4-[4-(TRIFLUOROMETHYL)PHENYL]PIPERAZIN-1-YL}BENZOYL)-N-PYRIDIN-4-YL-D-TRYPTOPHANAMIDE'>26N</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene></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='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=4c27 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4c27 OCA], [https://pdbe.org/4c27 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4c27 RCSB], [https://www.ebi.ac.uk/pdbsum/4c27 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4c27 ProSAT]</span></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=4c27 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4c27 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4c27 RCSB], [http://www.ebi.ac.uk/pdbsum/4c27 PDBsum]</span></td></tr>
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</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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<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
== Publication Abstract from PubMed ==
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>
</div>
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<div class="pdbe-citations 4c27" style="background-color:#fffaf0;"></div>
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==See Also==
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*[[Cytochrome P450 3D structures|Cytochrome P450 3D structures]]
== References ==
== References ==
<references/>
<references/>
__TOC__
__TOC__
</StructureSection>
</StructureSection>
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[[Category: Sterol 14-demethylase]]
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[[Category: Large Structures]]
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[[Category: Calvet, C M]]
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[[Category: Trypanosoma cruzi]]
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[[Category: Cameron, M D]]
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[[Category: Calvet CM]]
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[[Category: Choi, J Y]]
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[[Category: Cameron MD]]
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[[Category: Gut, J]]
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[[Category: Choi JY]]
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[[Category: Kellar, D]]
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[[Category: Gut J]]
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[[Category: McKerrow, J H]]
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[[Category: Kellar D]]
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[[Category: Podust, L M]]
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[[Category: McKerrow JH]]
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[[Category: Roush, W R]]
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[[Category: Podust LM]]
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[[Category: Siqueira-Neto, J L]]
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[[Category: Roush WR]]
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[[Category: Vieira, D F]]
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[[Category: Siqueira-Neto JL]]
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[[Category: Chagas disease]]
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[[Category: Vieira DF]]
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[[Category: Oxidoreductase]]
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[[Category: Sterol biosynthesis]]
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Current revision

Crystal structure of Trypanosoma cruzi CYP51 bound to the inhibitor (R)-N-(3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-2-fluoro-4-(4-(4-(trifluoromethyl)phenyl)piperazin-1-yl)benzamide

PDB ID 4c27

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