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4by0

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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)-3,3'- difluoro-(1,1'-biphenyl)-4-carboxamide==
==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)-3,3'- difluoro-(1,1'-biphenyl)-4-carboxamide==
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<StructureSection load='4by0' size='340' side='right' caption='[[4by0]], [[Resolution|resolution]] 3.10&Aring;' scene=''>
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<StructureSection load='4by0' size='340' side='right'caption='[[4by0]], [[Resolution|resolution]] 3.10&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[4by0]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Trycr Trycr]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4BY0 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4BY0 FirstGlance]. <br>
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<table><tr><td colspan='2'>[[4by0]] 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=4BY0 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4BY0 FirstGlance]. <br>
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</td></tr><tr><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=5PS:(R)-N-(3-(1H-INDOL-3-YL)-1-OXO-1-(PYRIDIN-4-YLAMINO)PROPAN-2-YL)-3,3-DIFLUORO-(1,1-BIPHENYL)-4-CARBOXAMIDE'>5PS</scene>, <scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene><br>
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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]] 3.1&#8491;</td></tr>
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<tr><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=5PS:(R)-N-(3-(1H-INDOL-3-YL)-1-OXO-1-(PYRIDIN-4-YLAMINO)PROPAN-2-YL)-3,3-DIFLUORO-(1,1-BIPHENYL)-4-CARBOXAMIDE'>5PS</scene>, <scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene></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=4by0 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4by0 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4by0 RCSB], [http://www.ebi.ac.uk/pdbsum/4by0 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=4by0 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4by0 OCA], [https://pdbe.org/4by0 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4by0 RCSB], [https://www.ebi.ac.uk/pdbsum/4by0 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4by0 ProSAT]</span></td></tr>
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<table>
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</table>
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== Function ==
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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]
<div style="background-color:#fffaf0;">
<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 4by0" 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: Trycr]]
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[[Category: Trypanosoma cruzi]]
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[[Category: Calvet, C M.]]
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[[Category: Calvet CM]]
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[[Category: Cameron, M D.]]
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[[Category: Cameron MD]]
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[[Category: Choi, J Y.]]
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[[Category: Choi JY]]
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[[Category: Gunatilleke, S S.]]
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[[Category: Gunatilleke SS]]
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[[Category: McKerrow, J H.]]
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[[Category: McKerrow JH]]
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[[Category: Podust, L M.]]
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[[Category: Podust LM]]
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[[Category: Roush, W R.]]
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[[Category: Roush WR]]
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[[Category: Vierira, D F.]]
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[[Category: Vierira DF]]
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[[Category: Chagas disease]]
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[[Category: Oxidoreductase]]
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[[Category: Sterol 14-demethylase]]
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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)-3,3'- difluoro-(1,1'-biphenyl)-4-carboxamide

PDB ID 4by0

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OCA

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