8cho - Revision history

OCA at 09:40, 14 February 2024

OCA — Wed, 14 Feb 2024 09:40:41 GMT

←Older revision		Revision as of 09:40, 14 February 2024
Line 1:		Line 1:
		+
	==CRYSTAL STRUCTURE OF DELTA5-3-KETOSTEROID ISOMERASE FROM PSEUDOMONAS TESTOSTERONI==		==CRYSTAL STRUCTURE OF DELTA5-3-KETOSTEROID ISOMERASE FROM PSEUDOMONAS TESTOSTERONI==
-	<StructureSection load='8cho' size='340' side='right' caption='[[8cho]], [[Resolution\|resolution]] 2.30Å' scene=''>	+	<StructureSection load='8cho' size='340' side='right'caption='[[8cho]], [[Resolution\|resolution]] 2.30Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[8cho]] is a 1 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/Comamonas_testosteroni Comamonas testosteroni]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=8CHO OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=8CHO FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[8cho]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Comamonas_testosteroni Comamonas testosteroni]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=8CHO OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=8CHO FirstGlance]. <br>
-	</td></tr><tr id='~~ligand~~'><td class="sblockLbl"><b>[[~~Ligand~~\|~~Ligands~~:]]</b></td><td class="sblockDat">~~<scene name='pdbligand=P4C:O~~-~~ACETALDEHYDYL-HEXAETHYLENE+GLYCOL'>P4C</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]] 2.3Å</td></tr>
-	<tr id='~~activity~~'><td class="sblockLbl"><b>~~Activity~~:</b></td><td class="sblockDat"><~~span class~~='~~plainlinks'>[http~~:~~//en.wikipedia.org/wiki/Steroid_Delta~~-~~isomerase Steroid Delta~~-~~isomerase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=5.3.3.1 5.3.3.1]~~ </~~span~~></td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=P4C:O-ACETALDEHYDYL-HEXAETHYLENE+GLYCOL'>P4C</scene></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=8cho FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=8cho OCA], [~~http~~://pdbe.org/8cho PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=8cho RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/8cho PDBsum]</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=8cho FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=8cho OCA], [https://pdbe.org/8cho PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=8cho RCSB], [https://www.ebi.ac.uk/pdbsum/8cho PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=8cho ProSAT]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/SDIS_COMTE SDIS_COMTE]
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
	[[Image:Consurf_key_small.gif\|200px\|right]]		[[Image:Consurf_key_small.gif\|200px\|right]]
	Check<jmol>		Check<jmol>
	<jmolCheckbox>		<jmolCheckbox>
-	<scriptWhenChecked>select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/ch/8cho_consurf.spt"</scriptWhenChecked>	+	<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/ch/8cho_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 17:		Line 20:
	</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=8cho 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=8cho ConSurf].
	<div style="clear:both"></div>		<div style="clear:both"></div>
-	<div style="background-color:#fffaf0;">
-	== Publication Abstract from PubMed ==
-	Bacterial Delta 5-3-ketosteroid isomerase (KSI) from Pseudomonas testosteroni has been intensively studied as a prototype for understanding an enzyme-catalyzed allylic rearrangement involving intramolecular proton transfer. Asp38 serves as a general base to abstract the proton from the steroid C4-H, which is a much stronger base than the carboxyl group of this residue. This unfavorable proton transfer requires 11 kcal/mol of energy which has to be provided by favorable interactions between catalytic residues and substrate in the course of the catalytic reaction. How this energy is provided at the active site of KSI has been a controversial issue, and inevitably the enzyme mechanism is not settled. To resolve these issues, we have determined the crystal structure of this enzyme at 2.3 A resolution. The crystal structure revealed that the active site environment of P. testosteroni KSI is nearly identical to that of Pseudomonas putida KSI, whose structure in complex with a reaction intermediate analogue we have determined recently. Comparison of the two structures clearly indicates that the two KSIs should share the same enzyme mechanism involving the stabilization of the dienolate intermediate by the two direct hydrogen bonds to the dienolate oxyanion, one from Tyr14 OH and the other from Asp99 COOH. Mutational analysis of the two residues and other biochemical data strongly suggest that the hydrogen bond of Tyr14 provides the more significant contribution than that of Asp99 to the requisite 11 kcal/mol of energy for the catalytic power of KSI.
-
-	Crystal structure and enzyme mechanism of Delta 5-3-ketosteroid isomerase from Pseudomonas testosteroni.,Cho HS, Choi G, Choi KY, Oh BH Biochemistry. 1998 Jun 9;37(23):8325-30. PMID:9622484<ref>PMID:9622484</ref>
-
-	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	</div>
-	<div class="pdbe-citations 8cho" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
	*[[Ketosteroid Isomerase\|Ketosteroid Isomerase]]		*[[Ketosteroid Isomerase\|Ketosteroid Isomerase]]
-	== References ==
-	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
	[[Category: Comamonas testosteroni]]		[[Category: Comamonas testosteroni]]
-	[[Category: ~~Steroid Delta-isomerase~~]]	+	[[Category: Large Structures]]
-	[[Category: Cho, H S]]	+	[[Category: Cho H-S]]
-	[[Category: Oh, B H]]	+	[[Category: Oh B-H]]
-	~~[[Category: Isomerase]]~~	+
-	~~[[Category: Steroid isomeration~~]]	+

OCA at 02:06, 9 February 2016

OCA — Tue, 09 Feb 2016 02:06:18 GMT

←Older revision		Revision as of 02:06, 9 February 2016
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	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=P4C:O-ACETALDEHYDYL-HEXAETHYLENE+GLYCOL'>P4C</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=P4C:O-ACETALDEHYDYL-HEXAETHYLENE+GLYCOL'>P4C</scene></td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Steroid_Delta-isomerase Steroid Delta-isomerase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=5.3.3.1 5.3.3.1] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Steroid_Delta-isomerase Steroid Delta-isomerase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=5.3.3.1 5.3.3.1] </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=8cho FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=8cho OCA], [http://www.rcsb.org/pdb/explore.do?structureId=8cho RCSB], [http://www.ebi.ac.uk/pdbsum/8cho 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=8cho FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=8cho OCA], [http://pdbe.org/8cho PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=8cho RCSB], [http://www.ebi.ac.uk/pdbsum/8cho PDBsum]</span></td></tr>
	</table>		</table>
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
Line 15:		Line 15:
	<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=8cho ConSurf].
	<div style="clear:both"></div>		<div style="clear:both"></div>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
Line 25:		Line 25:
	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 8cho" style="background-color:#fffaf0;"></div>

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

OCA at 08:28, 5 January 2015

OCA — Mon, 05 Jan 2015 08:28:31 GMT

←Older revision		Revision as of 08:28, 5 January 2015
Line 3:		Line 3:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[8cho]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Comamonas_testosteroni Comamonas testosteroni]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=8CHO OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=8CHO FirstGlance]. <br>		<table><tr><td colspan='2'>[[8cho]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Comamonas_testosteroni Comamonas testosteroni]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=8CHO OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=8CHO FirstGlance]. <br>
-	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=P4C:O-ACETALDEHYDYL-HEXAETHYLENE+GLYCOL'>P4C</scene><br>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=P4C:O-ACETALDEHYDYL-HEXAETHYLENE+GLYCOL'>P4C</scene></td></tr>
-	<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Steroid_Delta-isomerase Steroid Delta-isomerase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=5.3.3.1 5.3.3.1] </span></td></tr>	+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Steroid_Delta-isomerase Steroid Delta-isomerase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=5.3.3.1 5.3.3.1] </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=8cho FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=8cho OCA], [http://www.rcsb.org/pdb/explore.do?structureId=8cho RCSB], [http://www.ebi.ac.uk/pdbsum/8cho 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=8cho FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=8cho OCA], [http://www.rcsb.org/pdb/explore.do?structureId=8cho RCSB], [http://www.ebi.ac.uk/pdbsum/8cho PDBsum]</span></td></tr>
-	<table>	+	</table>
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
	[[Image:Consurf_key_small.gif\|200px\|right]]		[[Image:Consurf_key_small.gif\|200px\|right]]
Line 34:		Line 34:
	[[Category: Comamonas testosteroni]]		[[Category: Comamonas testosteroni]]
	[[Category: Steroid Delta-isomerase]]		[[Category: Steroid Delta-isomerase]]
-	[[Category: Cho, H S.]]	+	[[Category: Cho, H S]]
-	[[Category: Oh, B H.]]	+	[[Category: Oh, B H]]
	[[Category: Isomerase]]		[[Category: Isomerase]]
	[[Category: Steroid isomeration]]		[[Category: Steroid isomeration]]

OCA: Protected "8cho" [edit=sysop:move=sysop]

OCA — Thu, 05 Jun 2014 07:29:31 GMT

Protected "8cho" [edit=sysop:move=sysop]

←Older revision

Revision as of 07:29, 5 June 2014

OCA at 07:29, 5 June 2014

OCA — Thu, 05 Jun 2014 07:29:27 GMT

←Older revision		Revision as of 07:29, 5 June 2014
Line 1:		Line 1:
-	~~{{Seed}}~~	+	==CRYSTAL STRUCTURE OF DELTA5-3-KETOSTEROID ISOMERASE FROM PSEUDOMONAS TESTOSTERONI==
-	[[~~Image~~:8cho.~~png\|left~~\|200px]]	+	<StructureSection load='8cho' size='340' side='right' caption='[[8cho]], [[Resolution\|resolution]] 2.30Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[8cho]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Comamonas_testosteroni Comamonas testosteroni]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=8CHO OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=8CHO FirstGlance]. <br>
		+	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=P4C:O-ACETALDEHYDYL-HEXAETHYLENE+GLYCOL'>P4C</scene><br>
		+	<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Steroid_Delta-isomerase Steroid Delta-isomerase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=5.3.3.1 5.3.3.1] </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=8cho FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=8cho OCA], [http://www.rcsb.org/pdb/explore.do?structureId=8cho RCSB], [http://www.ebi.ac.uk/pdbsum/8cho 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/ch/8cho_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 ==
		+	Bacterial Delta 5-3-ketosteroid isomerase (KSI) from Pseudomonas testosteroni has been intensively studied as a prototype for understanding an enzyme-catalyzed allylic rearrangement involving intramolecular proton transfer. Asp38 serves as a general base to abstract the proton from the steroid C4-H, which is a much stronger base than the carboxyl group of this residue. This unfavorable proton transfer requires 11 kcal/mol of energy which has to be provided by favorable interactions between catalytic residues and substrate in the course of the catalytic reaction. How this energy is provided at the active site of KSI has been a controversial issue, and inevitably the enzyme mechanism is not settled. To resolve these issues, we have determined the crystal structure of this enzyme at 2.3 A resolution. The crystal structure revealed that the active site environment of P. testosteroni KSI is nearly identical to that of Pseudomonas putida KSI, whose structure in complex with a reaction intermediate analogue we have determined recently. Comparison of the two structures clearly indicates that the two KSIs should share the same enzyme mechanism involving the stabilization of the dienolate intermediate by the two direct hydrogen bonds to the dienolate oxyanion, one from Tyr14 OH and the other from Asp99 COOH. Mutational analysis of the two residues and other biochemical data strongly suggest that the hydrogen bond of Tyr14 provides the more significant contribution than that of Asp99 to the requisite 11 kcal/mol of energy for the catalytic power of KSI.

-	<!--	+	Crystal structure and enzyme mechanism of Delta 5-3-ketosteroid isomerase from Pseudomonas testosteroni.,Cho HS, Choi G, Choi KY, Oh BH Biochemistry. 1998 Jun 9;37(23):8325-30. PMID:9622484<ref>PMID:9622484</ref>
-	~~The line below this paragraph~~, ~~containing "STRUCTURE_8cho"~~, ~~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_8cho\| PDB=8cho \| SCENE= }}~~	+

-	~~===CRYSTAL STRUCTURE OF DELTA5-3-KETOSTEROID ISOMERASE FROM PSEUDOMONAS TESTOSTERONI===~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>

-		+	==See Also==
-	~~<!--~~	+	*[[Ketosteroid Isomerase\|Ketosteroid Isomerase]]
-	~~The line below this paragraph, {{ABSTRACT_PUBMED_9622484}}, adds the Publication Abstract to the page~~	+	== References ==
-	~~(as it appears on PubMed at http://www.pubmed.gov), where 9622484 is the PubMed ID number.~~	+	<references/>
-	~~-->~~	+	__TOC__
-	~~{{ABSTRACT_PUBMED_9622484}}~~	+	</StructureSection>
-		+
-	==~~About this Structure~~==	+
-	~~8CHO is a 1 chain structure of sequence from~~ [~~http://en.wikipedia.org/wiki/Comamonas_testosteroni Comamonas testosteroni~~]~~. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=8CHO OCA~~].	+
-		+
-	==~~Reference~~==	+
-	<~~ref group="xtra">PMID:9622484<~~/~~ref~~><~~references group="xtra"~~/>	+
	[[Category: Comamonas testosteroni]]		[[Category: Comamonas testosteroni]]
	[[Category: Steroid Delta-isomerase]]		[[Category: Steroid Delta-isomerase]]
Line 30:		Line 38:
	[[Category: Isomerase]]		[[Category: Isomerase]]
	[[Category: Steroid isomeration]]		[[Category: Steroid isomeration]]
-
-	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Tue Feb 17 05:35:33 2009''

OCA at 03:35, 17 February 2009

OCA — Tue, 17 Feb 2009 03:35:35 GMT

←Older revision		Revision as of 03:35, 17 February 2009
Line 20:		Line 20:

	==About this Structure==		==About this Structure==
-	8CHO is a ~~[[Single protein]]~~ structure of sequence from [http://en.wikipedia.org/wiki/Comamonas_testosteroni Comamonas testosteroni]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=8CHO OCA].	+	8CHO is a 1 chain structure of sequence from [http://en.wikipedia.org/wiki/Comamonas_testosteroni Comamonas testosteroni]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=8CHO OCA].

	==Reference==		==Reference==
-	~~Crystal structure and enzyme mechanism of Delta 5-3-ketosteroid isomerase from Pseudomonas testosteroni., Cho HS, Choi G, Choi KY, Oh BH, Biochemistry. 1998 Jun 9;37(23):8325-30.~~ PMID:~~[http:~~//~~www.ncbi.nlm.nih.gov/pubmed/9622484 9622484]~~	+	<ref group="xtra">PMID:9622484</ref><references group="xtra"/>
	[[Category: Comamonas testosteroni]]		[[Category: Comamonas testosteroni]]
-	[[Category: Single protein]]
	[[Category: Steroid Delta-isomerase]]		[[Category: Steroid Delta-isomerase]]
	[[Category: Cho, H S.]]		[[Category: Cho, H S.]]
Line 32:		Line 31:
	[[Category: Steroid isomeration]]		[[Category: Steroid isomeration]]

-	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on ~~Fri Jul 11 12~~:51:~~17 2008~~''	+	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Tue Feb 17 05:35:33 2009''

OCA at 09:51, 11 July 2008

OCA — Fri, 11 Jul 2008 09:51:17 GMT

←Older revision		Revision as of 09:51, 11 July 2008
Line 1:		Line 1:
-	[[Image:8cho.~~gif~~\|left\|200px]]	+	{{Seed}}
		+	[[Image:8cho.png\|left\|200px]]

	<!--		<!--
Line 9:		Line 10:
	{{STRUCTURE_8cho\| PDB=8cho \| SCENE= }}		{{STRUCTURE_8cho\| PDB=8cho \| SCENE= }}

-	~~'''~~CRYSTAL STRUCTURE OF DELTA5-3-KETOSTEROID ISOMERASE FROM PSEUDOMONAS TESTOSTERONI~~'''~~	+	===CRYSTAL STRUCTURE OF DELTA5-3-KETOSTEROID ISOMERASE FROM PSEUDOMONAS TESTOSTERONI===


-	~~==Overview==~~	+	<!--
-	~~Bacterial Delta 5~~-3-ketosteroid isomerase (KSI) from Pseudomonas testosteroni has been intensively studied as a prototype for understanding an enzyme-catalyzed allylic rearrangement involving intramolecular proton transfer. Asp38 serves as a general base to abstract the proton from the steroid C4-H, ~~which is a much stronger base than~~ the ~~carboxyl group of this residue. This unfavorable proton transfer requires 11 kcal/mol of energy which has~~ to ~~be provided by favorable interactions between catalytic residues and substrate in~~ the ~~course of the catalytic reaction. How this energy is provided~~ at ~~the active site of KSI has been a controversial issue, and inevitably the enzyme mechanism is not settled~~. ~~To resolve these issues~~, ~~we have determined the crystal structure of this enzyme at 2.3 A resolution. The crystal structure revealed that the active site environment of P. testosteroni KSI~~ is ~~nearly identical to that of Pseudomonas putida KSI, whose structure in complex with a reaction intermediate analogue we have determined recently. Comparison of~~ the two structures clearly indicates that the two KSIs should share the same enzyme mechanism involving the stabilization of the dienolate intermediate by the two direct hydrogen bonds to the dienolate oxyanion, one from Tyr14 OH and the other from Asp99 COOH. Mutational analysis of the two residues and other biochemical data strongly suggest that the hydrogen bond of Tyr14 provides the more significant contribution than that of Asp99 to the requisite 11 kcal/mol of energy for the catalytic power of KSI.	+	The line below this paragraph, {{ABSTRACT_PUBMED_9622484}}, adds the Publication Abstract to the page
		+	(as it appears on PubMed at http://www.pubmed.gov), where 9622484 is the PubMed ID number.
		+	-->
		+	{{ABSTRACT_PUBMED_9622484}}

	==About this Structure==		==About this Structure==
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	[[Category: Isomerase]]		[[Category: Isomerase]]
	[[Category: Steroid isomeration]]		[[Category: Steroid isomeration]]
-	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on ~~Sun May 4 22~~:48:55 2008''	+
		+	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Fri Jul 11 12:51:17 2008''

OCA at 19:48, 4 May 2008

OCA — Sun, 04 May 2008 19:48:56 GMT

←Older revision		Revision as of 19:48, 4 May 2008
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	[[Image:8cho.gif\|left\|200px]]		[[Image:8cho.gif\|left\|200px]]

-	~~{{Structure~~	+	<!--
-	~~\|PDB= 8cho \|SIZE=350\|CAPTION= <scene name='initialview01'>8cho</scene>~~, ~~resolution 2~~.~~3Å~~	+	The line below this paragraph, containing "STRUCTURE_8cho", creates the "Structure Box" on the page.
-	~~\|SITE=~~	+	You may change the PDB parameter (which sets the PDB file loaded into the applet)
-	~~\|LIGAND= <~~scene ~~name='pdbligand=P4C:O-ACETALDEHYDYL-HEXAETHYLENE+GLYCOL'>P4C</scene>~~	+	or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
-	~~\|ACTIVITY= <span class='plainlinks'>[http://en~~.~~wikipedia.org/wiki/Steroid_Delta~~-~~isomerase Steroid Delta~~-~~isomerase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=5.3.3.1 5.3.3.1] </span~~>	+	or leave the SCENE parameter empty for the default display.
-	\|~~GENE~~=	+	-->
-	\|~~DOMAIN~~=	+	{{STRUCTURE_8cho\| PDB=8cho \| SCENE= }}
-	~~\|RELATEDENTRY=~~	+
-	\|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=8cho FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=8cho OCA], [http://www.ebi.ac.uk/pdbsum/8cho PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=8cho RCSB]</span>	+
-	}}	+

	'''CRYSTAL STRUCTURE OF DELTA5-3-KETOSTEROID ISOMERASE FROM PSEUDOMONAS TESTOSTERONI'''		'''CRYSTAL STRUCTURE OF DELTA5-3-KETOSTEROID ISOMERASE FROM PSEUDOMONAS TESTOSTERONI'''
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	[[Category: Cho, H S.]]		[[Category: Cho, H S.]]
	[[Category: Oh, B H.]]		[[Category: Oh, B H.]]
-	[[Category: ~~isomerase~~]]	+	[[Category: Isomerase]]
-	[[Category: ~~steroid~~ isomeration]]	+	[[Category: Steroid isomeration]]
-		+	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun May 4 22:48:55 2008''
-	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on ~~Mon Mar 31 05~~:45:07 2008''	+

OCA at 02:45, 31 March 2008

OCA — Mon, 31 Mar 2008 02:45:10 GMT

←Older revision		Revision as of 02:45, 31 March 2008
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	\|PDB= 8cho \|SIZE=350\|CAPTION= <scene name='initialview01'>8cho</scene>, resolution 2.3Å		\|PDB= 8cho \|SIZE=350\|CAPTION= <scene name='initialview01'>8cho</scene>, resolution 2.3Å
	\|SITE=		\|SITE=
-	\|LIGAND= <scene name='pdbligand=P4C:O-ACETALDEHYDYL-HEXAETHYLENE GLYCOL'>P4C</scene>	+	\|LIGAND= <scene name='pdbligand=P4C:O-ACETALDEHYDYL-HEXAETHYLENE+GLYCOL'>P4C</scene>
-	\|ACTIVITY= [http://en.wikipedia.org/wiki/Steroid_Delta-isomerase Steroid Delta-isomerase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=5.3.3.1 5.3.3.1]	+	\|ACTIVITY= <span class='plainlinks'>[http://en.wikipedia.org/wiki/Steroid_Delta-isomerase Steroid Delta-isomerase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=5.3.3.1 5.3.3.1] </span>
	\|GENE=		\|GENE=
		+	\|DOMAIN=
		+	\|RELATEDENTRY=
		+	\|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=8cho FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=8cho OCA], [http://www.ebi.ac.uk/pdbsum/8cho PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=8cho RCSB]</span>
	}}		}}

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	[[Category: Cho, H S.]]		[[Category: Cho, H S.]]
	[[Category: Oh, B H.]]		[[Category: Oh, B H.]]
-	[[Category: P4C]]
	[[Category: isomerase]]		[[Category: isomerase]]
	[[Category: steroid isomeration]]		[[Category: steroid isomeration]]

-	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on ~~Thu~~ Mar ~~20 19~~:15:27 2008''	+	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 05:45:07 2008''

OCA at 17:15, 20 March 2008

OCA — Thu, 20 Mar 2008 17:15:29 GMT

←Older revision		Revision as of 17:15, 20 March 2008
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-	[[Image:8cho.gif\|left\|200px]]~~<br /><applet load~~="8cho~~" size~~="350~~" color~~=~~"white" frame="true" align="right" spinBox~~=~~"true"~~	+	[[Image:8cho.gif\|left\|200px]]
-	~~caption="~~8cho, resolution 2.3Å" />	+
-	'''CRYSTAL STRUCTURE OF DELTA5-3-KETOSTEROID ISOMERASE FROM PSEUDOMONAS TESTOSTERONI'''~~<br />~~	+	{{Structure
		+	\|PDB= 8cho \|SIZE=350\|CAPTION= <scene name='initialview01'>8cho</scene>, resolution 2.3Å
		+	\|SITE=
		+	\|LIGAND= <scene name='pdbligand=P4C:O-ACETALDEHYDYL-HEXAETHYLENE GLYCOL'>P4C</scene>
		+	\|ACTIVITY= [http://en.wikipedia.org/wiki/Steroid_Delta-isomerase Steroid Delta-isomerase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=5.3.3.1 5.3.3.1]
		+	\|GENE=
		+	}}
		+
		+	'''CRYSTAL STRUCTURE OF DELTA5-3-KETOSTEROID ISOMERASE FROM PSEUDOMONAS TESTOSTERONI'''
		+

	==Overview==		==Overview==
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	==About this Structure==		==About this Structure==
-	8CHO is a [~~http://en.wikipedia.org/wiki/Single_protein~~ Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Comamonas_testosteroni Comamonas testosteroni] ~~with <scene name='pdbligand=P4C:'>P4C</scene> as [http://en~~.wikipedia.org/wiki/ligand ligand]. Active as [http://en.wikipedia.org/wiki/Steroid_Delta-isomerase Steroid Delta-isomerase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=5.3.3.1 5.3.3.1] Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=8CHO OCA].	+	8CHO is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Comamonas_testosteroni Comamonas testosteroni]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=8CHO OCA].

	==Reference==		==Reference==
-	Crystal structure and enzyme mechanism of Delta 5-3-ketosteroid isomerase from Pseudomonas testosteroni., Cho HS, Choi G, Choi KY, Oh BH, Biochemistry. 1998 Jun 9;37(23):8325-30. PMID:[http://~~ispc~~.~~weizmann~~.ac.~~il/~~/~~pmbin~~/~~getpm?pmid=~~9622484 9622484]	+	Crystal structure and enzyme mechanism of Delta 5-3-ketosteroid isomerase from Pseudomonas testosteroni., Cho HS, Choi G, Choi KY, Oh BH, Biochemistry. 1998 Jun 9;37(23):8325-30. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/9622484 9622484]
	[[Category: Comamonas testosteroni]]		[[Category: Comamonas testosteroni]]
	[[Category: Single protein]]		[[Category: Single protein]]
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	[[Category: steroid isomeration]]		[[Category: steroid isomeration]]

-	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu ~~Feb 21~~ 19:17:51 2008''	+	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 19:15:27 2008''