4qdc - Revision history

OCA at 17:31, 20 September 2023

OCA — Wed, 20 Sep 2023 17:31:04 GMT

←Older revision		Revision as of 17:31, 20 September 2023
Line 4:		Line 4:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[4qdc]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Rhodococcus_rhodochrous Rhodococcus rhodochrous]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4QDC OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4QDC FirstGlance]. <br>		<table><tr><td colspan='2'>[[4qdc]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Rhodococcus_rhodochrous Rhodococcus rhodochrous]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4QDC OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4QDC FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=ASD:4-ANDROSTENE-3-17-DIONE'>ASD</scene>, <scene name='pdbligand=FE:FE+(III)+ION'>FE</scene>, <scene name='pdbligand=FES:FE2/S2+(INORGANIC)+CLUSTER'>FES</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=PG4:TETRAETHYLENE+GLYCOL'>PG4</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</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]] 1.9Å</td></tr>
		+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=ASD:4-ANDROSTENE-3-17-DIONE'>ASD</scene>, <scene name='pdbligand=FE:FE+(III)+ION'>FE</scene>, <scene name='pdbligand=FES:FE2/S2+(INORGANIC)+CLUSTER'>FES</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=PG4:TETRAETHYLENE+GLYCOL'>PG4</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></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=4qdc FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4qdc OCA], [https://pdbe.org/4qdc PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4qdc RCSB], [https://www.ebi.ac.uk/pdbsum/4qdc PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4qdc 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=4qdc FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4qdc OCA], [https://pdbe.org/4qdc PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4qdc RCSB], [https://www.ebi.ac.uk/pdbsum/4qdc PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4qdc ProSAT]</span></td></tr>
	</table>		</table>

OCA at 11:24, 15 February 2023

OCA — Wed, 15 Feb 2023 11:24:04 GMT

←Older revision		Revision as of 11:24, 15 February 2023
Line 1:		Line 1:

	==Crystal structure of 3-ketosteroid-9-alpha-hydroxylase 5 (KshA5) from R. rhodochrous in complex with FE2/S2 (INORGANIC) CLUSTER==		==Crystal structure of 3-ketosteroid-9-alpha-hydroxylase 5 (KshA5) from R. rhodochrous in complex with FE2/S2 (INORGANIC) CLUSTER==
-	<StructureSection load='4qdc' size='340' side='right' caption='[[4qdc]], [[Resolution\|resolution]] 1.90Å' scene=''>	+	<StructureSection load='4qdc' size='340' side='right'caption='[[4qdc]], [[Resolution\|resolution]] 1.90Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4qdc]] is a 1 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/~~"bacterium_mycoides_roseum"_grotenfelt_1889 "bacterium mycoides roseum" grotenfelt 1889~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4QDC OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=4QDC FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[4qdc]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Rhodococcus_rhodochrous Rhodococcus rhodochrous]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4QDC OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4QDC FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=ASD:4-ANDROSTENE-3-17-DIONE'>ASD</scene>, <scene name='pdbligand=FE:FE+(III)+ION'>FE</scene>, <scene name='pdbligand=FES:FE2/S2+(INORGANIC)+CLUSTER'>FES</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=PG4:TETRAETHYLENE+GLYCOL'>PG4</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>~~</td></tr>~~	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=ASD:4-ANDROSTENE-3-17-DIONE'>ASD</scene>, <scene name='pdbligand=FE:FE+(III)+ION'>FE</scene>, <scene name='pdbligand=FES:FE2/S2+(INORGANIC)+CLUSTER'>FES</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=PG4:TETRAETHYLENE+GLYCOL'>PG4</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
-	~~<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4qdd\|4qdd]], [[4qdf\|4qdf]], [[4qck\|4qck]]</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=4qdc FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4qdc OCA], [https://pdbe.org/4qdc PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4qdc RCSB], [https://www.ebi.ac.uk/pdbsum/4qdc PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4qdc ProSAT]</span></td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">ksha, kshA5 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1829 "Bacterium mycoides roseum" Grotenfelt 1889])</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=4qdc FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4qdc OCA], [~~http~~://pdbe.org/4qdc PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=4qdc RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/4qdc PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=4qdc ProSAT]</span></td></tr>	+
	</table>		</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/KSHA5_RHORH KSHA5_RHORH] Probably involved in the degradation of cholesterol (PubMed:21642460). In vitro, catalyzes the introduction of a 9alpha-hydroxyl moiety into the ring B of 3-ketosteroid substrates such as 1,4-androstadiene-3,17-dione (ADD), 4-androstene-3,17-dione (AD), 4-androstene-17beta-ol-3-one (testosterone), 4-pregnene-3,20-dione (progesterone), 19-nor-4-androstene-3,17-dione, 1-(5alpha)-androstene-3,17-dione, 5alpha-androstane-3,17-dione, 5beta-androstane-3,17-dione, 5alpha-androstane-17beta-ol-3-one (stanolon), 11beta-hydrocortisone, 3-oxo-23,24-bisnorcholesta-4-en-22-oate (4-BNC), 23,24-bisnorcholesta-4-ene-22-oate, 3-oxo-23,24-bisnorcholesta-1,4-dien-22-oate (1,4-BNC) and 3-oxo-23,24-bisnorcholesta-1,4-dien-22-oyl-coenzyme A thioester (1,4-BNC-CoA) (PubMed:21642460, PubMed:25049233). KshA5 has the broadest substrate range without a clear substrate preference and is active with Delta-4, Delta-1,4, 5alpha-H and 5beta-H steroids, as well as with steroids having bulky aliphatic side chains and an isopropionyl side chain at C17.<ref>PMID:21642460</ref> <ref>PMID:25049233</ref>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
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	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Bacterium mycoides roseum grotenfelt 1889~~]]	+	[[Category: Large Structures]]
-	[[Category: ~~Eltis, L D~~]]	+	[[Category: Rhodococcus rhodochrous]]
-	[[Category: ~~Penfield, J~~]]	+	[[Category: Eltis LD]]
-	[[Category: ~~Strynadka, N C]]~~	+	[[Category: Penfield J]]
-	~~[[Category: Worrall, L~~ J]]	+	[[Category: Strynadka NC]]
-	[[Category: ~~Mixed function oxygenase~~]]	+	[[Category: Worrall LJ]]
-	[[Category: ~~Oxidoreductase~~]]	+

OCA at 08:51, 22 November 2017

OCA — Wed, 22 Nov 2017 08:51:59 GMT

←Older revision		Revision as of 08:51, 22 November 2017
Line 3:		Line 3:
	<StructureSection load='4qdc' size='340' side='right' caption='[[4qdc]], [[Resolution\|resolution]] 1.90Å' scene=''>		<StructureSection load='4qdc' size='340' side='right' caption='[[4qdc]], [[Resolution\|resolution]] 1.90Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4qdc]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4QDC OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4QDC FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[4qdc]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/"bacterium_mycoides_roseum"_grotenfelt_1889 "bacterium mycoides roseum" grotenfelt 1889]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4QDC OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4QDC FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=ASD:4-ANDROSTENE-3-17-DIONE'>ASD</scene>, <scene name='pdbligand=FE:FE+(III)+ION'>FE</scene>, <scene name='pdbligand=FES:FE2/S2+(INORGANIC)+CLUSTER'>FES</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=PG4:TETRAETHYLENE+GLYCOL'>PG4</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=ASD:4-ANDROSTENE-3-17-DIONE'>ASD</scene>, <scene name='pdbligand=FE:FE+(III)+ION'>FE</scene>, <scene name='pdbligand=FES:FE2/S2+(INORGANIC)+CLUSTER'>FES</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=PG4:TETRAETHYLENE+GLYCOL'>PG4</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4qdd\|4qdd]], [[4qdf\|4qdf]], [[4qck\|4qck]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4qdd\|4qdd]], [[4qdf\|4qdf]], [[4qck\|4qck]]</td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">ksha, kshA5 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1829 "Bacterium mycoides roseum" Grotenfelt 1889])</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=4qdc FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4qdc OCA], [http://pdbe.org/4qdc PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4qdc RCSB], [http://www.ebi.ac.uk/pdbsum/4qdc PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4qdc 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=4qdc FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4qdc OCA], [http://pdbe.org/4qdc PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4qdc RCSB], [http://www.ebi.ac.uk/pdbsum/4qdc PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4qdc ProSAT]</span></td></tr>
	</table>		</table>
Line 21:		Line 22:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Bacterium mycoides roseum grotenfelt 1889]]
	[[Category: Eltis, L D]]		[[Category: Eltis, L D]]
	[[Category: Penfield, J]]		[[Category: Penfield, J]]

OCA at 12:51, 11 August 2016

OCA — Thu, 11 Aug 2016 12:51:43 GMT

←Older revision		Revision as of 12:51, 11 August 2016
Line 1:		Line 1:
		+
	==Crystal structure of 3-ketosteroid-9-alpha-hydroxylase 5 (KshA5) from R. rhodochrous in complex with FE2/S2 (INORGANIC) CLUSTER==		==Crystal structure of 3-ketosteroid-9-alpha-hydroxylase 5 (KshA5) from R. rhodochrous in complex with FE2/S2 (INORGANIC) CLUSTER==
	<StructureSection load='4qdc' size='340' side='right' caption='[[4qdc]], [[Resolution\|resolution]] 1.90Å' scene=''>		<StructureSection load='4qdc' size='340' side='right' caption='[[4qdc]], [[Resolution\|resolution]] 1.90Å' scene=''>
Line 5:		Line 6:
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=ASD:4-ANDROSTENE-3-17-DIONE'>ASD</scene>, <scene name='pdbligand=FE:FE+(III)+ION'>FE</scene>, <scene name='pdbligand=FES:FE2/S2+(INORGANIC)+CLUSTER'>FES</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=PG4:TETRAETHYLENE+GLYCOL'>PG4</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=ASD:4-ANDROSTENE-3-17-DIONE'>ASD</scene>, <scene name='pdbligand=FE:FE+(III)+ION'>FE</scene>, <scene name='pdbligand=FES:FE2/S2+(INORGANIC)+CLUSTER'>FES</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=PG4:TETRAETHYLENE+GLYCOL'>PG4</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4qdd\|4qdd]], [[4qdf\|4qdf]], [[4qck\|4qck]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4qdd\|4qdd]], [[4qdf\|4qdf]], [[4qck\|4qck]]</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=4qdc FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4qdc OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4qdc RCSB], [http://www.ebi.ac.uk/pdbsum/4qdc 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=4qdc FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4qdc OCA], [http://pdbe.org/4qdc PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4qdc RCSB], [http://www.ebi.ac.uk/pdbsum/4qdc PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4qdc ProSAT]</span></td></tr>
	</table>		</table>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
Line 15:		Line 16:
	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 4qdc" style="background-color:#fffaf0;"></div>
	== References ==		== References ==
	<references/>		<references/>

OCA at 10:30, 20 January 2015

OCA — Tue, 20 Jan 2015 10:30:18 GMT

←Older revision		Revision as of 10:30, 20 January 2015
Line 3:		Line 3:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[4qdc]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4QDC OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4QDC FirstGlance]. <br>		<table><tr><td colspan='2'>[[4qdc]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4QDC OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4QDC FirstGlance]. <br>
-	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=ASD:4-ANDROSTENE-3-17-DIONE'>ASD</scene>, <scene name='pdbligand=FE:FE+(III)+ION'>FE</scene>, <scene name='pdbligand=FES:FE2/S2+(INORGANIC)+CLUSTER'>FES</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=PG4:TETRAETHYLENE+GLYCOL'>PG4</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene><br>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=ASD:4-ANDROSTENE-3-17-DIONE'>ASD</scene>, <scene name='pdbligand=FE:FE+(III)+ION'>FE</scene>, <scene name='pdbligand=FES:FE2/S2+(INORGANIC)+CLUSTER'>FES</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=PG4:TETRAETHYLENE+GLYCOL'>PG4</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
-	<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4qdd\|4qdd]], [[4qdf\|4qdf]], [[4qck\|4qck]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4qdd\|4qdd]], [[4qdf\|4qdf]], [[4qck\|4qck]]</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=4qdc FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4qdc OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4qdc RCSB], [http://www.ebi.ac.uk/pdbsum/4qdc 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=4qdc FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4qdc OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4qdc RCSB], [http://www.ebi.ac.uk/pdbsum/4qdc PDBsum]</span></td></tr>
-	<table>	+	</table>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 19:		Line 19:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: Eltis, L D.]]	+	[[Category: Eltis, L D]]
-	[[Category: Penfield, J.]]	+	[[Category: Penfield, J]]
-	[[Category: Strynadka, N C.]]	+	[[Category: Strynadka, N C]]
-	[[Category: Worrall, L J.]]	+	[[Category: Worrall, L J]]
	[[Category: Mixed function oxygenase]]		[[Category: Mixed function oxygenase]]
	[[Category: Oxidoreductase]]		[[Category: Oxidoreductase]]

OCA at 21:49, 1 October 2014

OCA — Wed, 01 Oct 2014 21:49:15 GMT

←Older revision		Revision as of 21:49, 1 October 2014
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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=4qdc FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4qdc OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4qdc RCSB], [http://www.ebi.ac.uk/pdbsum/4qdc PDBsum]</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=4qdc FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4qdc OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4qdc RCSB], [http://www.ebi.ac.uk/pdbsum/4qdc PDBsum]</span></td></tr>
	<table>		<table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	KshA is the oxygenase component of 3-ketosteroid 9alpha-hydroxylase, a Rieske oxygenase involved in the bacterial degradation of steroids. Consistent with its role in bile acid catabolism, KshA1 from Rhodococcus rhodochrous DSM43269 had the highest apparent specificity (kcat/Km) for steroids with an isopropyl side chain at C17, such as 3-oxo-23,24-bisnorcholesta-1,4-diene-22-oate (1,4-BNC). By contrast, the KshA5 homolog had the highest apparent specificity for substrates with no C17 side chain (kcat/Km >10(5) s(-1) m(-1) for 4-estrendione, 5alpha-androstandione, and testosterone). Unexpectedly, substrates such as 4-androstene-3,17-dione (ADD) and 4-BNC displayed strong substrate inhibition (Ki S approximately 100 mum). By comparison, the cholesterol-degrading KshAMtb from Mycobacterium tuberculosis had the highest specificity for CoA-thioesterified substrates. These specificities are consistent with differences in the catabolism of cholesterol and bile acids, respectively, in actinobacteria. X-ray crystallographic structures of the KshAMtb.ADD, KshA1.1,4-BNC-CoA, KshA5.ADD, and KshA5.1,4-BNC-CoA complexes revealed that the enzymes have very similar steroid-binding pockets with the substrate's C17 oriented toward the active site opening. Comparisons suggest Tyr-245 and Phe-297 are determinants of KshA1 specificity. All enzymes have a flexible 16-residue "mouth loop," which in some structures completely occluded the substrate-binding pocket from the bulk solvent. Remarkably, the catalytic iron and alpha-helices harboring its ligands were displaced up to 4.4 A in the KshA5.substrate complexes as compared with substrate-free KshA, suggesting that Rieske oxygenases may have a dynamic nature similar to cytochrome P450.
		+
		+	Substrate specificities and conformational flexibility of 3-ketosteroid 9alpha-hydroxylases.,Penfield JS, Worrall LJ, Strynadka NC, Eltis LD J Biol Chem. 2014 Sep 12;289(37):25523-36. doi: 10.1074/jbc.M114.575886. Epub, 2014 Jul 21. PMID:25049233<ref>PMID:25049233</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	== References ==
		+	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>

OCA at 07:52, 30 July 2014

OCA — Wed, 30 Jul 2014 07:52:08 GMT

←Older revision		Revision as of 07:52, 30 July 2014
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-	'''~~Unreleased structure~~'''	+	==Crystal structure of 3-ketosteroid-9-alpha-hydroxylase 5 (KshA5) from R. rhodochrous in complex with FE2/S2 (INORGANIC) CLUSTER==
-		+	<StructureSection load='4qdc' size='340' side='right' caption='[[4qdc]], [[Resolution\|resolution]] 1.90Å' scene=''>
-	~~The entry~~ 4qdc is ~~ON HOLD until Paper Publication~~	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>[[4qdc]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4QDC OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4QDC FirstGlance]. <br>
-	~~Authors~~: ~~Penfield~~, J., ~~Worrall~~, L.J., Strynadka, N.C.~~, Eltis~~, L.D.	+	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=ASD:4-ANDROSTENE-3-17-DIONE'>ASD</scene>, <scene name='pdbligand=FE:FE+(III)+ION'>FE</scene>, <scene name='pdbligand=FES:FE2/S2+(INORGANIC)+CLUSTER'>FES</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=PG4:TETRAETHYLENE+GLYCOL'>PG4</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene><br>
-		+	<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4qdd\|4qdd]], [[4qdf\|4qdf]], [[4qck\|4qck]]</td></tr>
-	~~Description~~: ~~Crystal structure of 3-ketosteroid-9-alpha-hydroxylase 5 (KshA5) from R. rhodochrous in complex with ADD~~	+	<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=4qdc FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4qdc OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4qdc RCSB], [http://www.ebi.ac.uk/pdbsum/4qdc PDBsum]</span></td></tr>
		+	<table>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Eltis, L D.]]
		+	[[Category: Penfield, J.]]
		+	[[Category: Strynadka, N C.]]
		+	[[Category: Worrall, L J.]]
		+	[[Category: Mixed function oxygenase]]
		+	[[Category: Oxidoreductase]]

OCA at 05:53, 25 June 2014

OCA — Wed, 25 Jun 2014 05:53:05 GMT

←Older revision		Revision as of 05:53, 25 June 2014
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	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 4qdc is ON HOLD	+	The entry 4qdc is ON HOLD until Paper Publication

	Authors: Penfield, J., Worrall, L.J., Strynadka, N.C., Eltis, L.D.		Authors: Penfield, J., Worrall, L.J., Strynadka, N.C., Eltis, L.D.

	Description: Crystal structure of 3-ketosteroid-9-alpha-hydroxylase 5 (KshA5) from R. rhodochrous in complex with ADD		Description: Crystal structure of 3-ketosteroid-9-alpha-hydroxylase 5 (KshA5) from R. rhodochrous in complex with ADD

OCA: Protected "4qdc" [edit=sysop:move=sysop]

OCA — Wed, 21 May 2014 08:18:58 GMT

Protected "4qdc" [edit=sysop:move=sysop]

←Older revision

Revision as of 08:18, 21 May 2014

OCA: New page: '''Unreleased structure''' The entry 4qdc is ON HOLD Authors: Penfield, J., Worrall, L.J., Strynadka, N.C., Eltis, L.D. Description: Crystal structure of 3-ketosteroid-9-alpha-hydroxyl...

OCA — Wed, 21 May 2014 08:18:57 GMT

New page: '''Unreleased structure''' The entry 4qdc is ON HOLD Authors: Penfield, J., Worrall, L.J., Strynadka, N.C., Eltis, L.D. Description: Crystal structure of 3-ketosteroid-9-alpha-hydroxyl...

New page

'''Unreleased structure'''

The entry 4qdc is ON HOLD

Authors: Penfield, J., Worrall, L.J., Strynadka, N.C., Eltis, L.D.

Description: Crystal structure of 3-ketosteroid-9-alpha-hydroxylase 5 (KshA5) from R. rhodochrous in complex with ADD