2w09 - Revision history

OCA at 15:39, 13 December 2023

OCA — Wed, 13 Dec 2023 15:39:15 GMT

←Older revision		Revision as of 15:39, 13 December 2023
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	<StructureSection load='2w09' size='340' side='right'caption='[[2w09]], [[Resolution\|resolution]] 1.57Å' scene=''>		<StructureSection load='2w09' size='340' side='right'caption='[[2w09]], [[Resolution\|resolution]] 1.57Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[2w09]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/~~Myctu Myctu~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2W09 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2W09 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[2w09]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Mycobacterium_tuberculosis_H37Rv Mycobacterium tuberculosis H37Rv]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2W09 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2W09 FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CM9:CIS-4-METHYL-N-[(1S)-3-(METHYLSULFANYL)-1-(PYRIDIN-4-YLCARBAMOYL)PROPYL]CYCLOHEXANECARBOXAMIDE'>CM9</scene>, <scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</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]] 1.57Å</td></tr>
-	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[2bz9\|2bz9]], [[2w0a\|2w0a]], [[1u13\|1u13]], [[2ci0\|2ci0]], [[2cib\|2cib]], [[1e9x\|1e9x]], [[1x8v\|1x8v]], [[2vku\|2vku]], [[1h5z\|1h5z]], [[2w0b\|2w0b]], [[1ea1\|1ea1]]</div></td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CM9:CIS-4-METHYL-N-[(1S)-3-(METHYLSULFANYL)-1-(PYRIDIN-4-YLCARBAMOYL)PROPYL]CYCLOHEXANECARBOXAMIDE'>CM9</scene>, <scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene></td></tr>
-	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/Sterol_14-demethylase Sterol 14-demethylase], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.14.13.70 1.14.13.70] </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=2w09 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2w09 OCA], [https://pdbe.org/2w09 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2w09 RCSB], [https://www.ebi.ac.uk/pdbsum/2w09 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2w09 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=2w09 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2w09 OCA], [https://pdbe.org/2w09 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2w09 RCSB], [https://www.ebi.ac.uk/pdbsum/2w09 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2w09 ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[[https://www.uniprot.org/uniprot/CP51_MYCTU CP51_MYCTU]] Its precise biological substrate is not known. Catalyzes C14-demethylation of lanosterol, 24,25-dihydrolanosterol and obtusifoliol which is critical for ergosterol biosynthesis. It transforms lanosterol into 4,4'-dimethyl cholesta-8,14,24-triene-3-beta-ol.<ref>PMID:9756611</ref> <ref>PMID:10430874</ref>	+	[https://www.uniprot.org/uniprot/CP51_MYCTU CP51_MYCTU] Its precise biological substrate is not known. Catalyzes C14-demethylation of lanosterol, 24,25-dihydrolanosterol and obtusifoliol which is critical for ergosterol biosynthesis. It transforms lanosterol into 4,4'-dimethyl cholesta-8,14,24-triene-3-beta-ol.<ref>PMID:9756611</ref> <ref>PMID:10430874</ref>
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
	[[Image:Consurf_key_small.gif\|200px\|right]]		[[Image:Consurf_key_small.gif\|200px\|right]]
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	</StructureSection>		</StructureSection>
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: ~~Myctu]]~~	+	[[Category: Mycobacterium tuberculosis H37Rv]]
-	~~[[Category: Sterol 14-demethylase~~]]	+	[[Category: Podust LM]]
-	[[Category: Podust~~, L M]]~~	+
-	~~[[Category: Cytoplasm]]~~	+
-	~~[[Category: Heme]]~~	+
-	~~[[Category: Iron]]~~	+
-	~~[[Category: Lipid synthesis]]~~	+
-	~~[[Category: Metal-binding]]~~	+
-	~~[[Category: Monooxygenase]]~~	+
-	~~[[Category: Nadp]]~~	+
-	~~[[Category: Oxidoreductase]]~~	+
-	~~[[Category: Protein-inhibitor complex]]~~	+
-	~~[[Category: Steroid biosynthesis]]~~	+
-	~~[[Category: Sterol biosynthesis~~]]	+

OCA at 10:51, 7 July 2021

OCA — Wed, 07 Jul 2021 10:51:21 GMT

←Older revision		Revision as of 10:51, 7 July 2021
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	<StructureSection load='2w09' size='340' side='right'caption='[[2w09]], [[Resolution\|resolution]] 1.57Å' scene=''>		<StructureSection load='2w09' size='340' side='right'caption='[[2w09]], [[Resolution\|resolution]] 1.57Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[2w09]] is a 1 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/Myctu Myctu]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2W09 OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=2W09 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[2w09]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Myctu Myctu]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2W09 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2W09 FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CM9:CIS-4-METHYL-N-[(1S)-3-(METHYLSULFANYL)-1-(PYRIDIN-4-YLCARBAMOYL)PROPYL]CYCLOHEXANECARBOXAMIDE'>CM9</scene>, <scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CM9:CIS-4-METHYL-N-[(1S)-3-(METHYLSULFANYL)-1-(PYRIDIN-4-YLCARBAMOYL)PROPYL]CYCLOHEXANECARBOXAMIDE'>CM9</scene>, <scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene></td></tr>
-	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2bz9\|2bz9]], [[2w0a\|2w0a]], [[1u13\|1u13]], [[2ci0\|2ci0]], [[2cib\|2cib]], [[1e9x\|1e9x]], [[1x8v\|1x8v]], [[2vku\|2vku]], [[1h5z\|1h5z]], [[2w0b\|2w0b]], [[1ea1\|1ea1]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[2bz9\|2bz9]], [[2w0a\|2w0a]], [[1u13\|1u13]], [[2ci0\|2ci0]], [[2cib\|2cib]], [[1e9x\|1e9x]], [[1x8v\|1x8v]], [[2vku\|2vku]], [[1h5z\|1h5z]], [[2w0b\|2w0b]], [[1ea1\|1ea1]]</div></td></tr>
-	<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>	+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/Sterol_14-demethylase Sterol 14-demethylase], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.14.13.70 1.14.13.70] </span></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=2w09 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2w09 OCA], [~~http~~://pdbe.org/2w09 PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=2w09 RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/2w09 PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=2w09 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=2w09 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2w09 OCA], [https://pdbe.org/2w09 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2w09 RCSB], [https://www.ebi.ac.uk/pdbsum/2w09 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2w09 ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[[~~http~~://www.uniprot.org/uniprot/CP51_MYCTU CP51_MYCTU]] Its precise biological substrate is not known. Catalyzes C14-demethylation of lanosterol, 24,25-dihydrolanosterol and obtusifoliol which is critical for ergosterol biosynthesis. It transforms lanosterol into 4,4'-dimethyl cholesta-8,14,24-triene-3-beta-ol.<ref>PMID:9756611</ref> <ref>PMID:10430874</ref>	+	[[https://www.uniprot.org/uniprot/CP51_MYCTU CP51_MYCTU]] Its precise biological substrate is not known. Catalyzes C14-demethylation of lanosterol, 24,25-dihydrolanosterol and obtusifoliol which is critical for ergosterol biosynthesis. It transforms lanosterol into 4,4'-dimethyl cholesta-8,14,24-triene-3-beta-ol.<ref>PMID:9756611</ref> <ref>PMID:10430874</ref>
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
	[[Image:Consurf_key_small.gif\|200px\|right]]		[[Image:Consurf_key_small.gif\|200px\|right]]
Line 32:		Line 32:

	==See Also==		==See Also==
-	*[[Cytochrome P450\|Cytochrome P450]]	+	*[[Cytochrome P450 3D structures\|Cytochrome P450 3D structures]]
	== References ==		== References ==
	<references/>		<references/>

OCA at 12:16, 10 May 2019

OCA — Fri, 10 May 2019 12:16:30 GMT

←Older revision		Revision as of 12:16, 10 May 2019
Line 1:		Line 1:

	==CYP51 OF M. TUBERCULOSIS BOUND TO AN INHIBITOR CIS-4-METHYL-N-[(1S)-3-(METHYLSULFANYL)-1-(PYRIDIN-4-YLCARBAMOYL)PROPYL]CYCLOHEXANECARBOXAMIDE==		==CYP51 OF M. TUBERCULOSIS BOUND TO AN INHIBITOR CIS-4-METHYL-N-[(1S)-3-(METHYLSULFANYL)-1-(PYRIDIN-4-YLCARBAMOYL)PROPYL]CYCLOHEXANECARBOXAMIDE==
-	<StructureSection load='2w09' size='340' side='right' caption='[[2w09]], [[Resolution\|resolution]] 1.57Å' scene=''>	+	<StructureSection load='2w09' size='340' side='right'caption='[[2w09]], [[Resolution\|resolution]] 1.57Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[2w09]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Myctu Myctu]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2W09 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2W09 FirstGlance]. <br>		<table><tr><td colspan='2'>[[2w09]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Myctu Myctu]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2W09 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2W09 FirstGlance]. <br>
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	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Large Structures]]
	[[Category: Myctu]]		[[Category: Myctu]]
	[[Category: Sterol 14-demethylase]]		[[Category: Sterol 14-demethylase]]

OCA at 21:12, 19 September 2018

OCA — Wed, 19 Sep 2018 21:12:57 GMT

←Older revision		Revision as of 21:12, 19 September 2018
Line 1:		Line 1:
		+
	==CYP51 OF M. TUBERCULOSIS BOUND TO AN INHIBITOR CIS-4-METHYL-N-[(1S)-3-(METHYLSULFANYL)-1-(PYRIDIN-4-YLCARBAMOYL)PROPYL]CYCLOHEXANECARBOXAMIDE==		==CYP51 OF M. TUBERCULOSIS BOUND TO AN INHIBITOR CIS-4-METHYL-N-[(1S)-3-(METHYLSULFANYL)-1-(PYRIDIN-4-YLCARBAMOYL)PROPYL]CYCLOHEXANECARBOXAMIDE==
	<StructureSection load='2w09' size='340' side='right' caption='[[2w09]], [[Resolution\|resolution]] 1.57Å' scene=''>		<StructureSection load='2w09' size='340' side='right' caption='[[2w09]], [[Resolution\|resolution]] 1.57Å' scene=''>
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	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2bz9\|2bz9]], [[2w0a\|2w0a]], [[1u13\|1u13]], [[2ci0\|2ci0]], [[2cib\|2cib]], [[1e9x\|1e9x]], [[1x8v\|1x8v]], [[2vku\|2vku]], [[1h5z\|1h5z]], [[2w0b\|2w0b]], [[1ea1\|1ea1]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2bz9\|2bz9]], [[2w0a\|2w0a]], [[1u13\|1u13]], [[2ci0\|2ci0]], [[2cib\|2cib]], [[1e9x\|1e9x]], [[1x8v\|1x8v]], [[2vku\|2vku]], [[1h5z\|1h5z]], [[2w0b\|2w0b]], [[1ea1\|1ea1]]</td></tr>
	<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>		<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>
-	<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=2w09 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2w09 OCA], [http://pdbe.org/2w09 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2w09 RCSB], [http://www.ebi.ac.uk/pdbsum/2w09 PDBsum]</span></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=2w09 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2w09 OCA], [http://pdbe.org/2w09 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2w09 RCSB], [http://www.ebi.ac.uk/pdbsum/2w09 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=2w09 ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 14:		Line 15:
	Check<jmol>		Check<jmol>
	<jmolCheckbox>		<jmolCheckbox>
-	<scriptWhenChecked>select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/w0/2w09_consurf.spt"</scriptWhenChecked>	+	<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/w0/2w09_consurf.spt"</scriptWhenChecked>
	<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>		<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
	<text>to colour the structure by Evolutionary Conservation</text>		<text>to colour the structure by Evolutionary Conservation</text>
Line 39:		Line 40:
	[[Category: Sterol 14-demethylase]]		[[Category: Sterol 14-demethylase]]
	[[Category: Podust, L M]]		[[Category: Podust, L M]]
		+	[[Category: Cytoplasm]]
	[[Category: Heme]]		[[Category: Heme]]
	[[Category: Iron]]		[[Category: Iron]]

OCA at 01:35, 9 February 2016

OCA — Tue, 09 Feb 2016 01:35:00 GMT

←Older revision		Revision as of 01:35, 9 February 2016
Line 2:		Line 2:
	<StructureSection load='2w09' size='340' side='right' caption='[[2w09]], [[Resolution\|resolution]] 1.57Å' scene=''>		<StructureSection load='2w09' size='340' side='right' caption='[[2w09]], [[Resolution\|resolution]] 1.57Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[2w09]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/~~Mycobacterium_tuberculosis Mycobacterium tuberculosis~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2W09 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2W09 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[2w09]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Myctu Myctu]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2W09 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2W09 FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CM9:CIS-4-METHYL-N-[(1S)-3-(METHYLSULFANYL)-1-(PYRIDIN-4-YLCARBAMOYL)PROPYL]CYCLOHEXANECARBOXAMIDE'>CM9</scene>, <scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CM9:CIS-4-METHYL-N-[(1S)-3-(METHYLSULFANYL)-1-(PYRIDIN-4-YLCARBAMOYL)PROPYL]CYCLOHEXANECARBOXAMIDE'>CM9</scene>, <scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2bz9\|2bz9]], [[2w0a\|2w0a]], [[1u13\|1u13]], [[2ci0\|2ci0]], [[2cib\|2cib]], [[1e9x\|1e9x]], [[1x8v\|1x8v]], [[2vku\|2vku]], [[1h5z\|1h5z]], [[2w0b\|2w0b]], [[1ea1\|1ea1]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2bz9\|2bz9]], [[2w0a\|2w0a]], [[1u13\|1u13]], [[2ci0\|2ci0]], [[2cib\|2cib]], [[1e9x\|1e9x]], [[1x8v\|1x8v]], [[2vku\|2vku]], [[1h5z\|1h5z]], [[2w0b\|2w0b]], [[1ea1\|1ea1]]</td></tr>
	<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>		<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>
-	<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=2w09 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2w09 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2w09 RCSB], [http://www.ebi.ac.uk/pdbsum/2w09 PDBsum]</span></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=2w09 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2w09 OCA], [http://pdbe.org/2w09 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2w09 RCSB], [http://www.ebi.ac.uk/pdbsum/2w09 PDBsum]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 18:		Line 18:
	<text>to colour the structure by Evolutionary Conservation</text>		<text>to colour the structure by Evolutionary Conservation</text>
	</jmolCheckbox>		</jmolCheckbox>
-	</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].	+	</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/main_output.php?pdb_ID=2w09 ConSurf].
	<div style="clear:both"></div>		<div style="clear:both"></div>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
Line 28:		Line 28:
	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>		From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
	</div>		</div>
		+	<div class="pdbe-citations 2w09" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
Line 35:		Line 36:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Mycobacterium tuberculosis~~]]	+	[[Category: Myctu]]
	[[Category: Sterol 14-demethylase]]		[[Category: Sterol 14-demethylase]]
	[[Category: Podust, L M]]		[[Category: Podust, L M]]

OCA at 03:31, 25 December 2014

OCA — Thu, 25 Dec 2014 03:31:30 GMT

←Older revision		Revision as of 03:31, 25 December 2014
Line 3:		Line 3:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[2w09]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Mycobacterium_tuberculosis Mycobacterium tuberculosis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2W09 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2W09 FirstGlance]. <br>		<table><tr><td colspan='2'>[[2w09]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Mycobacterium_tuberculosis Mycobacterium tuberculosis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2W09 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2W09 FirstGlance]. <br>
-	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CM9:CIS-4-METHYL-N-[(1S)-3-(METHYLSULFANYL)-1-(PYRIDIN-4-YLCARBAMOYL)PROPYL]CYCLOHEXANECARBOXAMIDE'>CM9</scene>, <scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene><br>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CM9:CIS-4-METHYL-N-[(1S)-3-(METHYLSULFANYL)-1-(PYRIDIN-4-YLCARBAMOYL)PROPYL]CYCLOHEXANECARBOXAMIDE'>CM9</scene>, <scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene></td></tr>
-	<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2bz9\|2bz9]], [[2w0a\|2w0a]], [[1u13\|1u13]], [[2ci0\|2ci0]], [[2cib\|2cib]], [[1e9x\|1e9x]], [[1x8v\|1x8v]], [[2vku\|2vku]], [[1h5z\|1h5z]], [[2w0b\|2w0b]], [[1ea1\|1ea1]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2bz9\|2bz9]], [[2w0a\|2w0a]], [[1u13\|1u13]], [[2ci0\|2ci0]], [[2cib\|2cib]], [[1e9x\|1e9x]], [[1x8v\|1x8v]], [[2vku\|2vku]], [[1h5z\|1h5z]], [[2w0b\|2w0b]], [[1ea1\|1ea1]]</td></tr>
-	<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>	+	<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>
-	<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=2w09 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2w09 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2w09 RCSB], [http://www.ebi.ac.uk/pdbsum/2w09 PDBsum]</span></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=2w09 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2w09 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2w09 RCSB], [http://www.ebi.ac.uk/pdbsum/2w09 PDBsum]</span></td></tr>
-	<table>	+	</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/CP51_MYCTU CP51_MYCTU]] Its precise biological substrate is not known. Catalyzes C14-demethylation of lanosterol, 24,25-dihydrolanosterol and obtusifoliol which is critical for ergosterol biosynthesis. It transforms lanosterol into 4,4'-dimethyl cholesta-8,14,24-triene-3-beta-ol.<ref>PMID:9756611</ref> <ref>PMID:10430874</ref>
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
	[[Image:Consurf_key_small.gif\|200px\|right]]		[[Image:Consurf_key_small.gif\|200px\|right]]
Line 35:		Line 37:
	[[Category: Mycobacterium tuberculosis]]		[[Category: Mycobacterium tuberculosis]]
	[[Category: Sterol 14-demethylase]]		[[Category: Sterol 14-demethylase]]
-	[[Category: Podust, L M.]]	+	[[Category: Podust, L M]]
	[[Category: Heme]]		[[Category: Heme]]
	[[Category: Iron]]		[[Category: Iron]]

OCA at 07:58, 29 September 2014

OCA — Mon, 29 Sep 2014 07:58:11 GMT

←Older revision		Revision as of 07:58, 29 September 2014
Line 1:		Line 1:
-	[[~~Image:~~2w09.~~png~~\|~~left~~\|200px]]	+	==CYP51 OF M. TUBERCULOSIS BOUND TO AN INHIBITOR CIS-4-METHYL-N-[(1S)-3-(METHYLSULFANYL)-1-(PYRIDIN-4-YLCARBAMOYL)PROPYL]CYCLOHEXANECARBOXAMIDE==
		+	<StructureSection load='2w09' size='340' side='right' caption='[[2w09]], [[Resolution\|resolution]] 1.57Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[2w09]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Mycobacterium_tuberculosis Mycobacterium tuberculosis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2W09 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2W09 FirstGlance]. <br>
		+	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CM9:CIS-4-METHYL-N-[(1S)-3-(METHYLSULFANYL)-1-(PYRIDIN-4-YLCARBAMOYL)PROPYL]CYCLOHEXANECARBOXAMIDE'>CM9</scene>, <scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene><br>
		+	<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2bz9\|2bz9]], [[2w0a\|2w0a]], [[1u13\|1u13]], [[2ci0\|2ci0]], [[2cib\|2cib]], [[1e9x\|1e9x]], [[1x8v\|1x8v]], [[2vku\|2vku]], [[1h5z\|1h5z]], [[2w0b\|2w0b]], [[1ea1\|1ea1]]</td></tr>
		+	<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>
		+	<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=2w09 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2w09 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2w09 RCSB], [http://www.ebi.ac.uk/pdbsum/2w09 PDBsum]</span></td></tr>
		+	<table>
		+	== Evolutionary Conservation ==
		+	[[Image:Consurf_key_small.gif\|200px\|right]]
		+	Check<jmol>
		+	<jmolCheckbox>
		+	<scriptWhenChecked>select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/w0/2w09_consurf.spt"</scriptWhenChecked>
		+	<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
		+	<text>to colour the structure by Evolutionary Conservation</text>
		+	</jmolCheckbox>
		+	</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].
		+	<div style="clear:both"></div>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	BACKGROUND: The two front-line drugs for chronic Trypanosoma cruzi infections are limited by adverse side-effects and declining efficacy. One potential new target for Chagas' disease chemotherapy is sterol 14alpha-demethylase (CYP51), a cytochrome P450 enzyme involved in biosynthesis of membrane sterols. METHODOLOGY/PRINCIPAL FINDING: In a screening effort targeting Mycobacterium tuberculosis CYP51 (CYP51(Mt)), we previously identified the N-[4-pyridyl]-formamide moiety as a building block capable of delivering a variety of chemotypes into the CYP51 active site. In that work, the binding modes of several second generation compounds carrying this scaffold were determined by high-resolution co-crystal structures with CYP51(Mt). Subsequent assays against the CYP51 orthologue in T. cruzi, CYP51(Tc), demonstrated that two of the compounds tested in the earlier effort bound tightly to this enzyme. Both were tested in vitro for inhibitory effects against T. cruzi and the related protozoan parasite Trypanosoma brucei, the causative agent of African sleeping sickness. One of the compounds had potent, selective anti-T. cruzi activity in infected mouse macrophages. Cure of treated host cells was confirmed by prolonged incubation in the absence of the inhibiting compound. Discrimination between T. cruzi and T. brucei CYP51 by the inhibitor was largely based on the variability (phenylalanine versus isoleucine) of a single residue at a critical position in the active site. CONCLUSIONS/SIGNIFICANCE: CYP51(Mt)-based crystal structure analysis revealed that the functional groups of the two tightly bound compounds are likely to occupy different spaces in the CYP51 active site, suggesting the possibility of combining the beneficial features of both inhibitors in a third generation of compounds to achieve more potent and selective inhibition of CYP51(Tc).

-	~~{{STRUCTURE_2w09\| PDB=2w09 \| SCENE= }}~~	+	Trypanosoma cruzi CYP51 Inhibitor Derived from a Mycobacterium tuberculosis Screen Hit.,Chen CK, Doyle PS, Yermalitskaya LV, Mackey ZB, Ang KK, McKerrow JH, Podust LM PLoS Negl Trop Dis. 2009;3(2):e372. Epub 2009 Feb 3. PMID:19190730<ref>PMID:19190730</ref>

-	~~===CYP51 OF M. TUBERCULOSIS BOUND TO AN INHIBITOR CIS-4-METHYL-N-[(1S)-3-(METHYLSULFANYL)-1-(PYRIDIN-4-YLCARBAMOYL)PROPYL]CYCLOHEXANECARBOXAMIDE===~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-		+	</div>
-	~~{{ABSTRACT_PUBMED_19190730}}~~	+
-		+
-	~~==About this Structure==~~	+
-	~~[[2w09]] is~~ a ~~1 chain structure with sequence from [http://en~~.~~wikipedia~~.~~org/wiki/Mycobacterium_tuberculosis Mycobacterium tuberculosis]~~. ~~Full crystallographic information is available from [http:~~/~~/oca.weizmann.ac.il/oca-bin/ocashort?id=2W09 OCA].~~	+

	==See Also==		==See Also==
	*[[Cytochrome P450\|Cytochrome P450]]		*[[Cytochrome P450\|Cytochrome P450]]
-		+	== References ==
-	==~~Reference~~==	+	<references/>
-	<~~ref group="xtra">PMID:019190730<~~/~~ref~~><~~references group="xtra"~~/>	+	__TOC__
		+	</StructureSection>
	[[Category: Mycobacterium tuberculosis]]		[[Category: Mycobacterium tuberculosis]]
	[[Category: Sterol 14-demethylase]]		[[Category: Sterol 14-demethylase]]

OCA at 12:11, 20 October 2012

OCA — Sat, 20 Oct 2012 12:11:10 GMT

←Older revision		Revision as of 12:11, 20 October 2012
Line 8:		Line 8:

	==About this Structure==		==About this Structure==
-	[[2w09]] is a 1 chain structure ~~of [[Cytochrome P450]]~~ with sequence from [http://en.wikipedia.org/wiki/Mycobacterium_tuberculosis Mycobacterium tuberculosis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2W09 OCA].	+	[[2w09]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Mycobacterium_tuberculosis Mycobacterium tuberculosis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2W09 OCA].

	==See Also==		==See Also==

OCA at 07:53, 26 July 2012

OCA — Thu, 26 Jul 2012 07:53:40 GMT

←Older revision		Revision as of 07:53, 26 July 2012
Line 1:		Line 1:
	[[Image:2w09.png\|left\|200px]]		[[Image:2w09.png\|left\|200px]]

-	<!--
-	The line below this paragraph, containing "STRUCTURE_2w09", creates the "Structure Box" on the page.
-	You may change the PDB parameter (which sets the PDB file loaded into the applet)
-	or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
-	or leave the SCENE parameter empty for the default display.
-	-->
	{{STRUCTURE_2w09\| PDB=2w09 \| SCENE= }}		{{STRUCTURE_2w09\| PDB=2w09 \| SCENE= }}

	===CYP51 OF M. TUBERCULOSIS BOUND TO AN INHIBITOR CIS-4-METHYL-N-[(1S)-3-(METHYLSULFANYL)-1-(PYRIDIN-4-YLCARBAMOYL)PROPYL]CYCLOHEXANECARBOXAMIDE===		===CYP51 OF M. TUBERCULOSIS BOUND TO AN INHIBITOR CIS-4-METHYL-N-[(1S)-3-(METHYLSULFANYL)-1-(PYRIDIN-4-YLCARBAMOYL)PROPYL]CYCLOHEXANECARBOXAMIDE===

-
-	<!--
-	The line below this paragraph, {{ABSTRACT_PUBMED_19190730}}, adds the Publication Abstract to the page
-	(as it appears on PubMed at http://www.pubmed.gov), where 19190730 is the PubMed ID number.
-	-->
	{{ABSTRACT_PUBMED_19190730}}		{{ABSTRACT_PUBMED_19190730}}

Line 22:		Line 11:

	==See Also==		==See Also==
-	*[[Cytochrome P450]]	+	*[[Cytochrome P450\|Cytochrome P450]]

	==Reference==		==Reference==
-	<ref group="xtra">PMID:~~19190730~~</ref><references group="xtra"/>	+	<ref group="xtra">PMID:019190730</ref><references group="xtra"/>
	[[Category: Mycobacterium tuberculosis]]		[[Category: Mycobacterium tuberculosis]]
	[[Category: Sterol 14-demethylase]]		[[Category: Sterol 14-demethylase]]
	[[Category: Podust, L M.]]		[[Category: Podust, L M.]]
-	[[Category: Cytoplasm]]
	[[Category: Heme]]		[[Category: Heme]]
	[[Category: Iron]]		[[Category: Iron]]
Line 40:		Line 28:
	[[Category: Steroid biosynthesis]]		[[Category: Steroid biosynthesis]]
	[[Category: Sterol biosynthesis]]		[[Category: Sterol biosynthesis]]
-	[[Category: X-ray diffraction]]

OCA: Protected "2w09" [edit=sysop:move=sysop]

OCA — Sun, 26 Dec 2010 20:29:49 GMT

Protected "2w09" [edit=sysop:move=sysop]

←Older revision

Revision as of 20:29, 26 December 2010