3qwi - Revision history

OCA at 12:01, 14 March 2024

OCA — Thu, 14 Mar 2024 12:01:14 GMT

←Older revision		Revision as of 12:01, 14 March 2024
Line 3:		Line 3:
	<StructureSection load='3qwi' size='340' side='right'caption='[[3qwi]], [[Resolution\|resolution]] 2.50Å' scene=''>		<StructureSection load='3qwi' size='340' side='right'caption='[[3qwi]], [[Resolution\|resolution]] 2.50Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3qwi]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/~~Cbs_730.96 Cbs 730.96~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3QWI OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3QWI FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3qwi]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Curvularia_lunata Curvularia lunata]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3QWI OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3QWI FirstGlance]. <br>
-	</td></tr><tr id='~~ligand~~'><td class="sblockLbl"><b>[[~~Ligand~~\|~~Ligands~~:]]</b></td><td class="sblockDat" id="~~ligandDat~~">~~<scene name='pdbligand=CUE:COUMESTROL'>CUE</scene>, <scene name='pdbligand=EDO:1,2~~-~~ETHANEDIOL'>EDO</scene>~~, ~~<scene name='pdbligand=NAP:NADP+NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NAP</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]] 2.5Å</td></tr>
-	~~<tr id='related'><td class="sblockLbl"><b>~~[[~~Related_structure~~\|~~Related:~~]]~~</b></td><td class="sblockDat"><div style='overflow: auto~~; ~~max-height: 3em;'>[[3is3\|3is3]], [[3itd\|3itd]], [[3qwf\|3qwf]], [[3qwh\|3qwh]]</div>~~</td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CUE:COUMESTROL'>CUE</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=NAP:NADP+NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NAP</scene></td></tr>
-	<tr id='~~gene~~'><td class="sblockLbl"><b>[[~~Gene~~\|~~Gene~~:]]</b></td><td class="sblockDat">~~17HSDcl ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode~~=~~Info&srchmode~~=~~5&id=5503 CBS 730.96])</td~~></tr>	+
-	<~~tr id~~='~~activity'><td class~~=~~"sblockLbl"><b>Activity~~:~~</b~~></td><~~td class~~=~~"sblockDat"><span class~~=~~'plainlinks'>[https~~:~~//en.wikipedia.org/wiki/17~~-~~beta~~-~~estradiol_17-dehydrogenase 17-beta-estradiol 17-dehydrogenase], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.1.1.62 1.1.1.62]~~ </~~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=3qwi FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3qwi OCA], [https://pdbe.org/3qwi PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3qwi RCSB], [https://www.ebi.ac.uk/pdbsum/3qwi PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3qwi 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=3qwi FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3qwi OCA], [https://pdbe.org/3qwi PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3qwi RCSB], [https://www.ebi.ac.uk/pdbsum/3qwi PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3qwi ProSAT]</span></td></tr>
	</table>		</table>
-	~~<div style~~=~~"background-color:#fffaf0;">~~	+	== Function ==
-	=~~= Publication Abstract from PubMed~~ ==	+	[https://www.uniprot.org/uniprot/O93874_COCLU O93874_COCLU]
-	The 17beta-HSD (17beta-hydroxysteroid dehydrogenase) from the filamentous fungus Cochliobolus lunatus (17beta-HSDcl) is a NADP(H)-dependent enzyme that preferentially catalyses the interconversion of inactive 17-oxo-steroids and their active 17beta-hydroxy counterparts. 17beta-HSDcl belongs to the SDR (short-chain dehydrogenase/reductase) superfamily. It is currently the only fungal 17beta-HSD member that has been described and represents one of the model enzymes of the cP1 classical subfamily of NADPH-dependent SDR enzymes. A thorough crystallographic analysis has been performed to better understand the structural aspects of this subfamily and provide insights into the evolution of the HSD enzymes. The crystal structures of the 17beta-HSDcl apo, holo and coumestrol-inhibited ternary complex, and the active-site Y167F mutant reveal subtle conformational differences in the substrate-binding loop that probably modulate the catalytic activity of 17beta-HSDcl. Coumestrol, a plant-derived non-steroidal compound with oestrogenic activity, inhibits 17beta-HSDcl [IC50 2.8 muM; at 100 muM substrate (4-oestrene-3,17-dione)] by occupying the putative steroid-binding site. In addition to an extensive hydrogen-bonding network, coumestrol binding is stabilized further by pi-pi stacking interactions with Tyr212. A stopped-flow kinetic experiment clearly showed the coenzyme dissociation as the slowest step of the reaction and, in addition to the low steroid solubility, it prevents the accumulation of enzyme-coenzyme-steroid ternary complexes.	+
-		+
-	Insights into subtle conformational differences in the substrate-binding loop of fungal 17beta-hydroxysteroid dehydrogenase: a combined structural and kinetic approach.,Cassetta A, Krastanova I, Kristan K, Brunskole Svegelj M, Lamba D, Lanisnik Rizner T, Stojan J Biochem J. 2012 Jan 1;441(1):151-60. PMID:21929506<ref>PMID:~~21929506<~~/~~ref>~~	+
-		+
-	~~From MEDLINE®~~/~~PubMed®, a database of the U~~.S. ~~National Library of Medicine.<br>~~	+
-	</~~div>~~	+
-	~~<div class="pdbe-citations 3qwi" style="background-color:#fffaf0;"><~~/~~div>~~	+

	==See Also==		==See Also==
	*[[Hydroxysteroid dehydrogenase 3D structures\|Hydroxysteroid dehydrogenase 3D structures]]		*[[Hydroxysteroid dehydrogenase 3D structures\|Hydroxysteroid dehydrogenase 3D structures]]
-	== References ==
-	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~17-beta-estradiol 17-dehydrogenase]]~~	+	[[Category: Curvularia lunata]]
-	~~[[Category: Cbs 730 96~~]]	+
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Brunskole, M]]	+	[[Category: Brunskole M]]
-	[[Category: Cassetta, A]]	+	[[Category: Cassetta A]]
-	[[Category: Krastanova, I]]	+	[[Category: Krastanova I]]
-	[[Category: Kristan, K]]	+	[[Category: Kristan K]]
-	[[Category: Lamba, D]]	+	[[Category: Lamba D]]
-	[[Category: Rizner, T ~~Lanisnik~~]]	+	[[Category: Lanisnik Rizner T]]
-	[[Category: Stojan, J]]	+	[[Category: Stojan J]]
-	~~[[Category: 17beta-hydroxysteroid dehydrogenase]]~~	+
-	~~[[Category: Cytosol]]~~	+
-	~~[[Category: Flavonoid]]~~	+
-	~~[[Category: Oxidoreductase-oxidoreductase inhibitor complex]]~~	+
-	~~[[Category: Phytoestrogen]]~~	+
-	~~[[Category: Rossmann fold]]~~	+
-	~~[[Category: Short chain dehydrogenase/reductase~~]]	+

OCA at 05:39, 15 June 2022

OCA — Wed, 15 Jun 2022 05:39:16 GMT

←Older revision		Revision as of 05:39, 15 June 2022
Line 1:		Line 1:

	==Crystal structure of a 17beta-hydroxysteroid dehydrogenase (holo form) from fungus Cochliobolus lunatus in complex with NADPH and coumestrol==		==Crystal structure of a 17beta-hydroxysteroid dehydrogenase (holo form) from fungus Cochliobolus lunatus in complex with NADPH and coumestrol==
-	<StructureSection load='3qwi' size='340' side='right' caption='[[3qwi]], [[Resolution\|resolution]] 2.50Å' scene=''>	+	<StructureSection load='3qwi' size='340' side='right'caption='[[3qwi]], [[Resolution\|resolution]] 2.50Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3qwi]] is a 4 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/Cbs_730.96 Cbs 730.96]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3QWI OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=3QWI FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3qwi]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Cbs_730.96 Cbs 730.96]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3QWI OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3QWI FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CUE:COUMESTROL'>CUE</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=NAP:NADP+NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NAP</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CUE:COUMESTROL'>CUE</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=NAP:NADP+NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NAP</scene></td></tr>
-	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3is3\|3is3]], [[3itd\|3itd]], [[3qwf\|3qwf]], [[3qwh\|3qwh]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[3is3\|3is3]], [[3itd\|3itd]], [[3qwf\|3qwf]], [[3qwh\|3qwh]]</div></td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">17HSDcl ([~~http~~://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=5503 CBS 730.96])</td></tr>	+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">17HSDcl ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=5503 CBS 730.96])</td></tr>
-	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[~~http~~://en.wikipedia.org/wiki/17-beta-estradiol_17-dehydrogenase 17-beta-estradiol 17-dehydrogenase], with EC number [~~http~~://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.1.1.62 1.1.1.62] </span></td></tr>	+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/17-beta-estradiol_17-dehydrogenase 17-beta-estradiol 17-dehydrogenase], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.1.1.62 1.1.1.62] </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=3qwi FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3qwi OCA], [~~http~~://pdbe.org/3qwi PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=3qwi RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/3qwi PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=3qwi 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=3qwi FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3qwi OCA], [https://pdbe.org/3qwi PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3qwi RCSB], [https://www.ebi.ac.uk/pdbsum/3qwi PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3qwi ProSAT]</span></td></tr>
	</table>		</table>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
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	</div>		</div>
	<div class="pdbe-citations 3qwi" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 3qwi" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Hydroxysteroid dehydrogenase 3D structures\|Hydroxysteroid dehydrogenase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
Line 25:		Line 28:
	[[Category: 17-beta-estradiol 17-dehydrogenase]]		[[Category: 17-beta-estradiol 17-dehydrogenase]]
	[[Category: Cbs 730 96]]		[[Category: Cbs 730 96]]
		+	[[Category: Large Structures]]
	[[Category: Brunskole, M]]		[[Category: Brunskole, M]]
	[[Category: Cassetta, A]]		[[Category: Cassetta, A]]

OCA at 09:19, 8 November 2017

OCA — Wed, 08 Nov 2017 09:19:53 GMT

←Older revision		Revision as of 09:19, 8 November 2017
Line 3:		Line 3:
	<StructureSection load='3qwi' size='340' side='right' caption='[[3qwi]], [[Resolution\|resolution]] 2.50Å' scene=''>		<StructureSection load='3qwi' size='340' side='right' caption='[[3qwi]], [[Resolution\|resolution]] 2.50Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3qwi]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/~~Coclu Coclu~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3QWI OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3QWI FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3qwi]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/Cbs_730.96 Cbs 730.96]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3QWI OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3QWI FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CUE:COUMESTROL'>CUE</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=NAP:NADP+NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NAP</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CUE:COUMESTROL'>CUE</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=NAP:NADP+NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NAP</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3is3\|3is3]], [[3itd\|3itd]], [[3qwf\|3qwf]], [[3qwh\|3qwh]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3is3\|3is3]], [[3itd\|3itd]], [[3qwf\|3qwf]], [[3qwh\|3qwh]]</td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">17HSDcl ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=5503 ~~COCLU~~])</td></tr>	+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">17HSDcl ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=5503 CBS 730.96])</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/17-beta-estradiol_17-dehydrogenase 17-beta-estradiol 17-dehydrogenase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.1.1.62 1.1.1.62] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/17-beta-estradiol_17-dehydrogenase 17-beta-estradiol 17-dehydrogenase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.1.1.62 1.1.1.62] </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=3qwi FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3qwi OCA], [http://pdbe.org/3qwi PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3qwi RCSB], [http://www.ebi.ac.uk/pdbsum/3qwi PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=3qwi ProSAT]</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=3qwi FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3qwi OCA], [http://pdbe.org/3qwi PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3qwi RCSB], [http://www.ebi.ac.uk/pdbsum/3qwi PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=3qwi ProSAT]</span></td></tr>
Line 19:		Line 19:
	</div>		</div>
	<div class="pdbe-citations 3qwi" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 3qwi" style="background-color:#fffaf0;"></div>
-
-	==See Also==
-	*[[Hydroxysteroid dehydrogenase\|Hydroxysteroid dehydrogenase]]
	== References ==		== References ==
	<references/>		<references/>
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	</StructureSection>		</StructureSection>
	[[Category: 17-beta-estradiol 17-dehydrogenase]]		[[Category: 17-beta-estradiol 17-dehydrogenase]]
-	[[Category: ~~Coclu~~]]	+	[[Category: Cbs 730 96]]
	[[Category: Brunskole, M]]		[[Category: Brunskole, M]]
	[[Category: Cassetta, A]]		[[Category: Cassetta, A]]

OCA at 11:31, 10 December 2016

OCA — Sat, 10 Dec 2016 11:31:25 GMT

←Older revision		Revision as of 11:31, 10 December 2016
Line 1:		Line 1:
		+
	==Crystal structure of a 17beta-hydroxysteroid dehydrogenase (holo form) from fungus Cochliobolus lunatus in complex with NADPH and coumestrol==		==Crystal structure of a 17beta-hydroxysteroid dehydrogenase (holo form) from fungus Cochliobolus lunatus in complex with NADPH and coumestrol==
	<StructureSection load='3qwi' size='340' side='right' caption='[[3qwi]], [[Resolution\|resolution]] 2.50Å' scene=''>		<StructureSection load='3qwi' size='340' side='right' caption='[[3qwi]], [[Resolution\|resolution]] 2.50Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3qwi]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/~~Cochliobolus_lunatus Cochliobolus lunatus~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3QWI OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3QWI FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3qwi]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/Coclu Coclu]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3QWI OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3QWI FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CUE:COUMESTROL'>CUE</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=NAP:NADP+NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NAP</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CUE:COUMESTROL'>CUE</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=NAP:NADP+NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NAP</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3is3\|3is3]], [[3itd\|3itd]], [[3qwf\|3qwf]], [[3qwh\|3qwh]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3is3\|3is3]], [[3itd\|3itd]], [[3qwf\|3qwf]], [[3qwh\|3qwh]]</td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">17HSDcl ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=5503 ~~Cochliobolus lunatus~~])</td></tr>	+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">17HSDcl ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=5503 COCLU])</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/17-beta-estradiol_17-dehydrogenase 17-beta-estradiol 17-dehydrogenase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.1.1.62 1.1.1.62] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/17-beta-estradiol_17-dehydrogenase 17-beta-estradiol 17-dehydrogenase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.1.1.62 1.1.1.62] </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=3qwi FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3qwi OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3qwi RCSB], [http://www.ebi.ac.uk/pdbsum/3qwi 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=3qwi FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3qwi OCA], [http://pdbe.org/3qwi PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3qwi RCSB], [http://www.ebi.ac.uk/pdbsum/3qwi PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=3qwi ProSAT]</span></td></tr>
	</table>		</table>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
Line 17:		Line 18:
	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 3qwi" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
Line 25:		Line 27:
	</StructureSection>		</StructureSection>
	[[Category: 17-beta-estradiol 17-dehydrogenase]]		[[Category: 17-beta-estradiol 17-dehydrogenase]]
-	[[Category: ~~Cochliobolus lunatus~~]]	+	[[Category: Coclu]]
	[[Category: Brunskole, M]]		[[Category: Brunskole, M]]
	[[Category: Cassetta, A]]		[[Category: Cassetta, A]]

OCA at 08:34, 15 February 2015

OCA — Sun, 15 Feb 2015 08:34:38 GMT

←Older revision		Revision as of 08:34, 15 February 2015
Line 1:		Line 1:
-	~~{{STRUCTURE_3qwi\| PDB=3qwi \| SCENE= }}~~	+	==Crystal structure of a 17beta-hydroxysteroid dehydrogenase (holo form) from fungus Cochliobolus lunatus in complex with NADPH and coumestrol==
-	===Crystal structure of a 17beta-hydroxysteroid dehydrogenase (holo form) from fungus Cochliobolus lunatus in complex with NADPH and coumestrol===	+	<StructureSection load='3qwi' size='340' side='right' caption='[[3qwi]], [[Resolution\|resolution]] 2.50Å' scene=''>
-	~~{{ABSTRACT_PUBMED_21929506}}~~	+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[3qwi]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/Cochliobolus_lunatus Cochliobolus lunatus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3QWI OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3QWI FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CUE:COUMESTROL'>CUE</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=NAP:NADP+NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NAP</scene></td></tr>
		+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3is3\|3is3]], [[3itd\|3itd]], [[3qwf\|3qwf]], [[3qwh\|3qwh]]</td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">17HSDcl ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=5503 Cochliobolus lunatus])</td></tr>
		+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/17-beta-estradiol_17-dehydrogenase 17-beta-estradiol 17-dehydrogenase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.1.1.62 1.1.1.62] </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=3qwi FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3qwi OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3qwi RCSB], [http://www.ebi.ac.uk/pdbsum/3qwi PDBsum]</span></td></tr>
		+	</table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	The 17beta-HSD (17beta-hydroxysteroid dehydrogenase) from the filamentous fungus Cochliobolus lunatus (17beta-HSDcl) is a NADP(H)-dependent enzyme that preferentially catalyses the interconversion of inactive 17-oxo-steroids and their active 17beta-hydroxy counterparts. 17beta-HSDcl belongs to the SDR (short-chain dehydrogenase/reductase) superfamily. It is currently the only fungal 17beta-HSD member that has been described and represents one of the model enzymes of the cP1 classical subfamily of NADPH-dependent SDR enzymes. A thorough crystallographic analysis has been performed to better understand the structural aspects of this subfamily and provide insights into the evolution of the HSD enzymes. The crystal structures of the 17beta-HSDcl apo, holo and coumestrol-inhibited ternary complex, and the active-site Y167F mutant reveal subtle conformational differences in the substrate-binding loop that probably modulate the catalytic activity of 17beta-HSDcl. Coumestrol, a plant-derived non-steroidal compound with oestrogenic activity, inhibits 17beta-HSDcl [IC50 2.8 muM; at 100 muM substrate (4-oestrene-3,17-dione)] by occupying the putative steroid-binding site. In addition to an extensive hydrogen-bonding network, coumestrol binding is stabilized further by pi-pi stacking interactions with Tyr212. A stopped-flow kinetic experiment clearly showed the coenzyme dissociation as the slowest step of the reaction and, in addition to the low steroid solubility, it prevents the accumulation of enzyme-coenzyme-steroid ternary complexes.

-	~~==About this Structure==~~	+	Insights into subtle conformational differences in the substrate-binding loop of fungal 17beta-hydroxysteroid dehydrogenase: a combined structural and kinetic approach.,Cassetta A, Krastanova I, Kristan K, Brunskole Svegelj M, Lamba D, Lanisnik Rizner T, Stojan J Biochem J. 2012 Jan 1;441(1):151-60. PMID:21929506<ref>PMID:21929506</ref>
-	~~[[3qwi]] is a 4 chain structure with sequence from [http~~:~~//en~~.~~wikipedia~~.~~org/wiki/Cochliobolus_lunatus Cochliobolus lunatus]~~. ~~Full crystallographic information is available from [http~~://~~oca~~.~~weizmann~~.ac.il/~~oca-bin/ocashort?id=3QWI OCA].~~	+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>

	==See Also==		==See Also==
	*[[Hydroxysteroid dehydrogenase\|Hydroxysteroid dehydrogenase]]		*[[Hydroxysteroid dehydrogenase\|Hydroxysteroid dehydrogenase]]
-		+	== References ==
-	==~~Reference~~==	+	<references/>
-	~~<ref group="xtra">PMID:021929506</ref>~~<references ~~group="xtra"~~/><~~references~~/>	+	__TOC__
		+	</StructureSection>
	[[Category: 17-beta-estradiol 17-dehydrogenase]]		[[Category: 17-beta-estradiol 17-dehydrogenase]]
	[[Category: Cochliobolus lunatus]]		[[Category: Cochliobolus lunatus]]
-	[[Category: Brunskole, M.]]	+	[[Category: Brunskole, M]]
-	[[Category: Cassetta, A.]]	+	[[Category: Cassetta, A]]
-	[[Category: Krastanova, I.]]	+	[[Category: Krastanova, I]]
-	[[Category: Kristan, K.]]	+	[[Category: Kristan, K]]
-	[[Category: Lamba, D.]]	+	[[Category: Lamba, D]]
-	[[Category: Rizner, T Lanisnik.]]	+	[[Category: Rizner, T Lanisnik]]
-	[[Category: Stojan, J.]]	+	[[Category: Stojan, J]]
	[[Category: 17beta-hydroxysteroid dehydrogenase]]		[[Category: 17beta-hydroxysteroid dehydrogenase]]
	[[Category: Cytosol]]		[[Category: Cytosol]]

OCA at 12:37, 3 July 2013

OCA — Wed, 03 Jul 2013 12:37:54 GMT

←Older revision		Revision as of 12:37, 3 July 2013
Line 1:		Line 1:
-	[[Image:3qwi.png\|left\|200px]]
-
	{{STRUCTURE_3qwi\| PDB=3qwi \| SCENE= }}		{{STRUCTURE_3qwi\| PDB=3qwi \| SCENE= }}
-
	===Crystal structure of a 17beta-hydroxysteroid dehydrogenase (holo form) from fungus Cochliobolus lunatus in complex with NADPH and coumestrol===		===Crystal structure of a 17beta-hydroxysteroid dehydrogenase (holo form) from fungus Cochliobolus lunatus in complex with NADPH and coumestrol===
-
	{{ABSTRACT_PUBMED_21929506}}		{{ABSTRACT_PUBMED_21929506}}

Line 14:		Line 10:

	==Reference==		==Reference==
-	<ref group="xtra">PMID:021929506</ref><references group="xtra"/>	+	<ref group="xtra">PMID:021929506</ref><references group="xtra"/><references/>
		+	[[Category: 17-beta-estradiol 17-dehydrogenase]]
	[[Category: Cochliobolus lunatus]]		[[Category: Cochliobolus lunatus]]
-	[[Category: Estradiol 17-beta-dehydrogenase]]
	[[Category: Brunskole, M.]]		[[Category: Brunskole, M.]]
	[[Category: Cassetta, A.]]		[[Category: Cassetta, A.]]

OCA at 19:52, 20 October 2012

OCA — Sat, 20 Oct 2012 19:52:55 GMT

←Older revision		Revision as of 19:52, 20 October 2012
Line 8:		Line 8:

	==About this Structure==		==About this Structure==
-	[[3qwi]] is a 4 chain structure ~~of [[Hydroxysteroid dehydrogenase]]~~ with sequence from [http://en.wikipedia.org/wiki/Cochliobolus_lunatus Cochliobolus lunatus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3QWI OCA].	+	[[3qwi]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/Cochliobolus_lunatus Cochliobolus lunatus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3QWI OCA].

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

OCA at 08:46, 27 July 2012

OCA — Fri, 27 Jul 2012 08:46:36 GMT

←Older revision		Revision as of 08:46, 27 July 2012
Line 1:		Line 1:
-	[[Image:3qwi.~~jpg~~\|left\|200px]]	+	[[Image:3qwi.png\|left\|200px]]

-	<!--
-	The line below this paragraph, containing "STRUCTURE_3qwi", 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_3qwi\| PDB=3qwi \| SCENE= }}		{{STRUCTURE_3qwi\| PDB=3qwi \| SCENE= }}

	===Crystal structure of a 17beta-hydroxysteroid dehydrogenase (holo form) from fungus Cochliobolus lunatus in complex with NADPH and coumestrol===		===Crystal structure of a 17beta-hydroxysteroid dehydrogenase (holo form) from fungus Cochliobolus lunatus in complex with NADPH and coumestrol===

-
-	<!--
-	The line below this paragraph, {{ABSTRACT_PUBMED_21929506}}, adds the Publication Abstract to the page
-	(as it appears on PubMed at http://www.pubmed.gov), where 21929506 is the PubMed ID number.
-	-->
	{{ABSTRACT_PUBMED_21929506}}		{{ABSTRACT_PUBMED_21929506}}

	==About this Structure==		==About this Structure==
-	[[3qwi]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/Cochliobolus_lunatus Cochliobolus lunatus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3QWI OCA].	+	[[3qwi]] is a 4 chain structure of [[Hydroxysteroid dehydrogenase]] with sequence from [http://en.wikipedia.org/wiki/Cochliobolus_lunatus Cochliobolus lunatus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3QWI OCA].
		+
		+	==See Also==
		+	*[[Hydroxysteroid dehydrogenase\|Hydroxysteroid dehydrogenase]]

	==Reference==		==Reference==

OCA at 10:46, 18 January 2012

OCA — Wed, 18 Jan 2012 10:46:14 GMT

←Older revision		Revision as of 10:46, 18 January 2012
Line 1:		Line 1:
-	~~'''Unreleased structure'''~~	+	[[Image:3qwi.jpg\|left\|200px]]

-	The ~~entry 3qwi~~ is ~~ON HOLD~~ ~~until Paper Publication~~	+	<!--
		+	The line below this paragraph, containing "STRUCTURE_3qwi", 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_3qwi\| PDB=3qwi \| SCENE= }}

-	~~Authors: Cassetta, A., Lamba, D., Krastanova, I., Stojan, J., Lanisnik Rizner, T., Kristan, K., Brunskole, M.~~	+	===Crystal structure of a 17beta-hydroxysteroid dehydrogenase (holo form) from fungus Cochliobolus lunatus in complex with NADPH and coumestrol===

-	~~Description: Crystal structure of a 17beta~~-~~hydroxysteroid dehydrogenase~~ (~~holo form~~) from ~~fungus~~ Cochliobolus lunatus in complex ~~with NADPH and coumestrol~~	+
		+	<!--
		+	The line below this paragraph, {{ABSTRACT_PUBMED_21929506}}, adds the Publication Abstract to the page
		+	(as it appears on PubMed at http://www.pubmed.gov), where 21929506 is the PubMed ID number.
		+	-->
		+	{{ABSTRACT_PUBMED_21929506}}
		+
		+	==About this Structure==
		+	[[3qwi]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/Cochliobolus_lunatus Cochliobolus lunatus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3QWI OCA].
		+
		+	==Reference==
		+	<ref group="xtra">PMID:021929506</ref><references group="xtra"/>
		+	[[Category: Cochliobolus lunatus]]
		+	[[Category: Estradiol 17-beta-dehydrogenase]]
		+	[[Category: Brunskole, M.]]
		+	[[Category: Cassetta, A.]]
		+	[[Category: Krastanova, I.]]
		+	[[Category: Kristan, K.]]
		+	[[Category: Lamba, D.]]
		+	[[Category: Rizner, T Lanisnik.]]
		+	[[Category: Stojan, J.]]
		+	[[Category: 17beta-hydroxysteroid dehydrogenase]]
		+	[[Category: Cytosol]]
		+	[[Category: Flavonoid]]
		+	[[Category: Oxidoreductase-oxidoreductase inhibitor complex]]
		+	[[Category: Phytoestrogen]]
		+	[[Category: Rossmann fold]]
		+	[[Category: Short chain dehydrogenase/reductase]]

OCA at 06:46, 23 March 2011

OCA — Wed, 23 Mar 2011 06:46:59 GMT

←Older revision		Revision as of 06:46, 23 March 2011
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 3qwi is ON HOLD	+	The entry 3qwi is ON HOLD until Paper Publication

	Authors: Cassetta, A., Lamba, D., Krastanova, I., Stojan, J., Lanisnik Rizner, T., Kristan, K., Brunskole, M.		Authors: Cassetta, A., Lamba, D., Krastanova, I., Stojan, J., Lanisnik Rizner, T., Kristan, K., Brunskole, M.

	Description: Crystal structure of a 17beta-hydroxysteroid dehydrogenase (holo form) from fungus Cochliobolus lunatus in complex with NADPH and coumestrol		Description: Crystal structure of a 17beta-hydroxysteroid dehydrogenase (holo form) from fungus Cochliobolus lunatus in complex with NADPH and coumestrol