1e97 - Revision history

OCA at 08:47, 9 May 2024

2024-05-09T08:47:53Z

←Older revision		Revision as of 08:47, 9 May 2024
Line 19:		Line 19:
	</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=1e97 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=1e97 ConSurf].
	<div style="clear:both"></div>		<div style="clear:both"></div>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Delta5-3-ketosteroid isomerase (KSI) from Pseudomonas putida Biotype B catalyzes the allylic isomerization of Delta5-3-ketosteroids to their conjugated Delta4-isomers via a dienolate intermediate. Two electrophilic catalysts, Tyr-14 and Asp-99, are involved in a hydrogen bond network that comprises Asp-99 Odelta2...O of Wat504...Tyr-14 Oeta...Tyr-55 Oeta.Tyr-30 Oeta in the active site of P. putida KSI. Even though neither Tyr-30 nor Tyr-55 plays an essential role in catalysis by the KSI, the catalytic activity of Y14F could be increased ca. 26-51-fold by the additional Y30F and/or Y55F mutation in the hydrogen bond network. To identify the structural basis for the pseudoreversion in the KSI, crystal structures of Y14F and Y14F/Y30F/Y55F have been determined at 1.8 and 2.0 A resolution, respectively. Comparisons of the two structures near the catalytic center indicate that the hydrogen bond between Asp-99 Odelta2 and C3-O of the steroid, which is perturbed by the Y14F mutation, can be partially restored to that in the wild-type enzyme by the additional Y30F/Y55F mutations. The kinetic parameters of the tyrosine mutants with the additional D99N or D99L mutation also support the idea that Asp-99 contributes to catalysis more efficiently in Y14F/Y30F/Y55F than in Y14F. In contrast to the catalytic mechanism of Y14F, the C4 proton of the steroid substrate was found to be transferred to the C6 position in Y14F/Y30F/Y55F with little exchange of the substrate 4beta-proton with a solvent deuterium based on the reaction rate in D2O. Taken together, our findings strongly suggest that the improvement in the catalytic activity of Y14F by the additional Y30F/Y55F mutations is due to the changes in the structural integrity at the catalytic site and the resulting restoration of the proton-transfer mechanism in Y14F/Y30F/Y55F.
		+
		+	Pseudoreversion of the catalytic activity of Y14F by the additional substitution(s) of tyrosine with phenylalanine in the hydrogen bond network of delta 5-3-ketosteroid isomerase from Pseudomonas putida biotype B.,Choi G, Ha NC, Kim MS, Hong BH, Oh BH, Choi KY Biochemistry. 2001 Jun 12;40(23):6828-35. PMID:11389596<ref>PMID:11389596</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 1e97" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
	*[[Ketosteroid Isomerase\|Ketosteroid Isomerase]]		*[[Ketosteroid Isomerase\|Ketosteroid Isomerase]]
		+	== References ==
		+	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>

OCA at 09:59, 20 March 2024

2024-03-20T09:59:56Z

←Older revision		Revision as of 09:59, 20 March 2024
Line 3:		Line 3:
	<StructureSection load='1e97' size='340' side='right'caption='[[1e97]], [[Resolution\|resolution]] 2.00Å' scene=''>		<StructureSection load='1e97' size='340' side='right'caption='[[1e97]], [[Resolution\|resolution]] 2.00Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[1e97]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/~~"bacillus_fluorescens_putidus"_flugge_1886 "bacillus fluorescens putidus" flugge 1886~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1E97 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1E97 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[1e97]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Pseudomonas_putida Pseudomonas putida]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1E97 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1E97 FirstGlance]. <br>
-	</td></tr><tr id='~~related~~'><td class="sblockLbl"><b>[[~~Related_structure~~\|~~Related~~:]]</b></td><td class="sblockDat"~~><div style='overflow: auto; max-height: 3em;'>[[1c7h\|1c7h]], [[1dmm\|1dmm]], [[1dmn\|1dmn]], [[1dmq\|1dmq]], [[1e3n\|1e3n]], [[1e3r\|1e3r]], [[1e3v\|1e3v]], [[1opy\|1opy]], [[4tsu\|4tsu]]</div></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]] 2Å</td></tr>
-	~~<tr~~ id~~='activity'><td class~~="~~sblockLbl~~">~~<b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/Steroid_Delta~~-~~isomerase Steroid Delta-isomerase]~~, ~~with EC number~~ [~~https://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'>[https://proteopedia.org/fgij/fg.htm?mol=1e97 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1e97 OCA], [https://pdbe.org/1e97 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1e97 RCSB], [https://www.ebi.ac.uk/pdbsum/1e97 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1e97 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=1e97 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1e97 OCA], [https://pdbe.org/1e97 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1e97 RCSB], [https://www.ebi.ac.uk/pdbsum/1e97 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1e97 ProSAT]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/SDIS_PSEPU SDIS_PSEPU]
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
	[[Image:Consurf_key_small.gif\|200px\|right]]		[[Image:Consurf_key_small.gif\|200px\|right]]
Line 18:		Line 19:
	</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=1e97 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=1e97 ConSurf].
	<div style="clear:both"></div>		<div style="clear:both"></div>
-	<div style="background-color:#fffaf0;">
-	== Publication Abstract from PubMed ==
-	Delta5-3-ketosteroid isomerase (KSI) from Pseudomonas putida Biotype B catalyzes the allylic isomerization of Delta5-3-ketosteroids to their conjugated Delta4-isomers via a dienolate intermediate. Two electrophilic catalysts, Tyr-14 and Asp-99, are involved in a hydrogen bond network that comprises Asp-99 Odelta2...O of Wat504...Tyr-14 Oeta...Tyr-55 Oeta.Tyr-30 Oeta in the active site of P. putida KSI. Even though neither Tyr-30 nor Tyr-55 plays an essential role in catalysis by the KSI, the catalytic activity of Y14F could be increased ca. 26-51-fold by the additional Y30F and/or Y55F mutation in the hydrogen bond network. To identify the structural basis for the pseudoreversion in the KSI, crystal structures of Y14F and Y14F/Y30F/Y55F have been determined at 1.8 and 2.0 A resolution, respectively. Comparisons of the two structures near the catalytic center indicate that the hydrogen bond between Asp-99 Odelta2 and C3-O of the steroid, which is perturbed by the Y14F mutation, can be partially restored to that in the wild-type enzyme by the additional Y30F/Y55F mutations. The kinetic parameters of the tyrosine mutants with the additional D99N or D99L mutation also support the idea that Asp-99 contributes to catalysis more efficiently in Y14F/Y30F/Y55F than in Y14F. In contrast to the catalytic mechanism of Y14F, the C4 proton of the steroid substrate was found to be transferred to the C6 position in Y14F/Y30F/Y55F with little exchange of the substrate 4beta-proton with a solvent deuterium based on the reaction rate in D2O. Taken together, our findings strongly suggest that the improvement in the catalytic activity of Y14F by the additional Y30F/Y55F mutations is due to the changes in the structural integrity at the catalytic site and the resulting restoration of the proton-transfer mechanism in Y14F/Y30F/Y55F.
-
-	Pseudoreversion of the catalytic activity of Y14F by the additional substitution(s) of tyrosine with phenylalanine in the hydrogen bond network of delta 5-3-ketosteroid isomerase from Pseudomonas putida biotype B.,Choi G, Ha NC, Kim MS, Hong BH, Oh BH, Choi KY Biochemistry. 2001 Jun 12;40(23):6828-35. PMID:11389596<ref>PMID:11389596</ref>
-
-	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	</div>
-	<div class="pdbe-citations 1e97" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
	*[[Ketosteroid Isomerase\|Ketosteroid Isomerase]]		*[[Ketosteroid Isomerase\|Ketosteroid Isomerase]]
-	== References ==
-	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: Bacillus fluorescens putidus flugge 1886]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: ~~Steroid Delta-isomerase~~]]	+	[[Category: Pseudomonas putida]]
-	[[Category: Ha, N C]]	+	[[Category: Ha N-C]]
-	[[Category: Oh, B H]]	+	[[Category: Oh B-H]]
-	~~[[Category: Isomerase]]~~	+
-	~~[[Category: Ketosteroid isomerase]]~~	+
-	~~[[Category: Lbhb~~]]	+

OCA at 11:08, 28 July 2021

2021-07-28T11:08:01Z

←Older revision		Revision as of 11:08, 28 July 2021
Line 3:		Line 3:
	<StructureSection load='1e97' size='340' side='right'caption='[[1e97]], [[Resolution\|resolution]] 2.00Å' scene=''>		<StructureSection load='1e97' size='340' side='right'caption='[[1e97]], [[Resolution\|resolution]] 2.00Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[1e97]] is a 1 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/"bacillus_fluorescens_putidus"_flugge_1886 "bacillus fluorescens putidus" flugge 1886]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1E97 OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=1E97 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[1e97]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/"bacillus_fluorescens_putidus"_flugge_1886 "bacillus fluorescens putidus" flugge 1886]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1E97 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1E97 FirstGlance]. <br>
-	</td></tr><tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1c7h\|1c7h]], [[1dmm\|1dmm]], [[1dmn\|1dmn]], [[1dmq\|1dmq]], [[1e3n\|1e3n]], [[1e3r\|1e3r]], [[1e3v\|1e3v]], [[1opy\|1opy]], [[4tsu\|4tsu]]</td></tr>	+	</td></tr><tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[1c7h\|1c7h]], [[1dmm\|1dmm]], [[1dmn\|1dmn]], [[1dmq\|1dmq]], [[1e3n\|1e3n]], [[1e3r\|1e3r]], [[1e3v\|1e3v]], [[1opy\|1opy]], [[4tsu\|4tsu]]</div></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'>[https://en.wikipedia.org/wiki/Steroid_Delta-isomerase Steroid Delta-isomerase], with EC number [https://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=1e97 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1e97 OCA], [~~http~~://pdbe.org/1e97 PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=1e97 RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/1e97 PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=1e97 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=1e97 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1e97 OCA], [https://pdbe.org/1e97 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1e97 RCSB], [https://www.ebi.ac.uk/pdbsum/1e97 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1e97 ProSAT]</span></td></tr>
	</table>		</table>
	== Evolutionary Conservation ==		== Evolutionary Conservation ==

OCA at 08:24, 23 October 2019

2019-10-23T08:24:34Z

←Older revision		Revision as of 08:24, 23 October 2019
Line 1:		Line 1:

	==Crystal structure of ketosteroid isomerase from Pseudomonas putida ; triple mutant y16f/y32f/y57f==		==Crystal structure of ketosteroid isomerase from Pseudomonas putida ; triple mutant y16f/y32f/y57f==
-	<StructureSection load='1e97' size='340' side='right' caption='[[1e97]], [[Resolution\|resolution]] 2.00Å' scene=''>	+	<StructureSection load='1e97' size='340' side='right'caption='[[1e97]], [[Resolution\|resolution]] 2.00Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[1e97]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/"bacillus_fluorescens_putidus"_flugge_1886 "bacillus fluorescens putidus" flugge 1886]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1E97 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1E97 FirstGlance]. <br>		<table><tr><td colspan='2'>[[1e97]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/"bacillus_fluorescens_putidus"_flugge_1886 "bacillus fluorescens putidus" flugge 1886]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1E97 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1E97 FirstGlance]. <br>
Line 27:		Line 27:
	</div>		</div>
	<div class="pdbe-citations 1e97" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 1e97" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Ketosteroid Isomerase\|Ketosteroid Isomerase]]
	== References ==		== References ==
	<references/>		<references/>
Line 32:		Line 35:
	</StructureSection>		</StructureSection>
	[[Category: Bacillus fluorescens putidus flugge 1886]]		[[Category: Bacillus fluorescens putidus flugge 1886]]
		+	[[Category: Large Structures]]
	[[Category: Steroid Delta-isomerase]]		[[Category: Steroid Delta-isomerase]]
	[[Category: Ha, N C]]		[[Category: Ha, N C]]

OCA at 07:46, 13 December 2017

2017-12-13T07:46:48Z

←Older revision		Revision as of 07:46, 13 December 2017
Line 1:		Line 1:
-	==~~CRYSTAL STRUCTURE OF KETOSTEROID ISOMERASE FROM PSEUDOMONAS PUTIDA~~ ; ~~TRIPLE MUTANT Y16F~~/~~Y32F~~/~~Y57F~~==	+
		+	==Crystal structure of ketosteroid isomerase from Pseudomonas putida ; triple mutant y16f/y32f/y57f==
	<StructureSection load='1e97' size='340' side='right' caption='[[1e97]], [[Resolution\|resolution]] 2.00Å' scene=''>		<StructureSection load='1e97' size='340' side='right' caption='[[1e97]], [[Resolution\|resolution]] 2.00Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
Line 5:		Line 6:
	</td></tr><tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1c7h\|1c7h]], [[1dmm\|1dmm]], [[1dmn\|1dmn]], [[1dmq\|1dmq]], [[1e3n\|1e3n]], [[1e3r\|1e3r]], [[1e3v\|1e3v]], [[1opy\|1opy]], [[4tsu\|4tsu]]</td></tr>		</td></tr><tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1c7h\|1c7h]], [[1dmm\|1dmm]], [[1dmn\|1dmn]], [[1dmq\|1dmq]], [[1e3n\|1e3n]], [[1e3r\|1e3r]], [[1e3v\|1e3v]], [[1opy\|1opy]], [[4tsu\|4tsu]]</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=1e97 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1e97 OCA], [http://pdbe.org/1e97 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=1e97 RCSB], [http://www.ebi.ac.uk/pdbsum/1e97 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=1e97 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1e97 OCA], [http://pdbe.org/1e97 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=1e97 RCSB], [http://www.ebi.ac.uk/pdbsum/1e97 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=1e97 ProSAT]</span></td></tr>
	</table>		</table>
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
Line 11:		Line 12:
	Check<jmol>		Check<jmol>
	<jmolCheckbox>		<jmolCheckbox>
-	<scriptWhenChecked>select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/e9/1e97_consurf.spt"</scriptWhenChecked>	+	<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/e9/1e97_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 26:		Line 27:
	</div>		</div>
	<div class="pdbe-citations 1e97" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 1e97" style="background-color:#fffaf0;"></div>
-
-	==See Also==
-	*[[Ketosteroid Isomerase\|Ketosteroid Isomerase]]
	== References ==		== References ==
	<references/>		<references/>

OCA at 12:23, 8 February 2016

2016-02-08T12:23:52Z

←Older revision		Revision as of 12:23, 8 February 2016
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=1e97 ConSurf].
	<div style="clear:both"></div>		<div style="clear:both"></div>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">

OCA at 11:32, 10 September 2015

2015-09-10T11:32:32Z

←Older revision		Revision as of 11:32, 10 September 2015
Line 2:		Line 2:
	<StructureSection load='1e97' size='340' side='right' caption='[[1e97]], [[Resolution\|resolution]] 2.00Å' scene=''>		<StructureSection load='1e97' size='340' side='right' caption='[[1e97]], [[Resolution\|resolution]] 2.00Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[1e97]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/~~Pseudomonas_putida Pseudomonas putida~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1E97 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1E97 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[1e97]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/"bacillus_fluorescens_putidus"_flugge_1886 "bacillus fluorescens putidus" flugge 1886]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1E97 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1E97 FirstGlance]. <br>
	</td></tr><tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1c7h\|1c7h]], [[1dmm\|1dmm]], [[1dmn\|1dmn]], [[1dmq\|1dmq]], [[1e3n\|1e3n]], [[1e3r\|1e3r]], [[1e3v\|1e3v]], [[1opy\|1opy]], [[4tsu\|4tsu]]</td></tr>		</td></tr><tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1c7h\|1c7h]], [[1dmm\|1dmm]], [[1dmn\|1dmn]], [[1dmq\|1dmq]], [[1e3n\|1e3n]], [[1e3r\|1e3r]], [[1e3v\|1e3v]], [[1opy\|1opy]], [[4tsu\|4tsu]]</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=1e97 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1e97 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=1e97 RCSB], [http://www.ebi.ac.uk/pdbsum/1e97 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=1e97 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1e97 OCA], [http://pdbe.org/1e97 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=1e97 RCSB], [http://www.ebi.ac.uk/pdbsum/1e97 PDBsum]</span></td></tr>
	</table>		</table>
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
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 1e97" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
Line 32:		Line 33:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Pseudomonas putida~~]]	+	[[Category: Bacillus fluorescens putidus flugge 1886]]
	[[Category: Steroid Delta-isomerase]]		[[Category: Steroid Delta-isomerase]]
	[[Category: Ha, N C]]		[[Category: Ha, N C]]

OCA at 20:02, 22 December 2014

2014-12-22T20:02:45Z

←Older revision		Revision as of 20:02, 22 December 2014
Line 3:		Line 3:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[1e97]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Pseudomonas_putida Pseudomonas putida]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1E97 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1E97 FirstGlance]. <br>		<table><tr><td colspan='2'>[[1e97]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Pseudomonas_putida Pseudomonas putida]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1E97 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1E97 FirstGlance]. <br>
-	</td></tr><tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1c7h\|1c7h]], [[1dmm\|1dmm]], [[1dmn\|1dmn]], [[1dmq\|1dmq]], [[1e3n\|1e3n]], [[1e3r\|1e3r]], [[1e3v\|1e3v]], [[1opy\|1opy]], [[4tsu\|4tsu]]</td></tr>	+	</td></tr><tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1c7h\|1c7h]], [[1dmm\|1dmm]], [[1dmn\|1dmn]], [[1dmq\|1dmq]], [[1e3n\|1e3n]], [[1e3r\|1e3r]], [[1e3v\|1e3v]], [[1opy\|1opy]], [[4tsu\|4tsu]]</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=1e97 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1e97 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=1e97 RCSB], [http://www.ebi.ac.uk/pdbsum/1e97 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=1e97 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1e97 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=1e97 RCSB], [http://www.ebi.ac.uk/pdbsum/1e97 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: Pseudomonas putida]]		[[Category: Pseudomonas putida]]
	[[Category: Steroid Delta-isomerase]]		[[Category: Steroid Delta-isomerase]]
-	[[Category: Ha, N C.]]	+	[[Category: Ha, N C]]
-	[[Category: Oh, B H.]]	+	[[Category: Oh, B H]]
	[[Category: Isomerase]]		[[Category: Isomerase]]
	[[Category: Ketosteroid isomerase]]		[[Category: Ketosteroid isomerase]]
	[[Category: Lbhb]]		[[Category: Lbhb]]

OCA at 14:52, 29 September 2014

2014-09-29T14:52:15Z

←Older revision		Revision as of 14:52, 29 September 2014
Line 1:		Line 1:
-	~~{{STRUCTURE_1e97\| PDB=1e97 \| SCENE= }}~~	+	==CRYSTAL STRUCTURE OF KETOSTEROID ISOMERASE FROM PSEUDOMONAS PUTIDA ; TRIPLE MUTANT Y16F/Y32F/Y57F==
-	===CRYSTAL STRUCTURE OF KETOSTEROID ISOMERASE FROM PSEUDOMONAS PUTIDA ; TRIPLE MUTANT Y16F/Y32F/Y57F===	+	<StructureSection load='1e97' size='340' side='right' caption='[[1e97]], [[Resolution\|resolution]] 2.00Å' scene=''>
-	~~{{ABSTRACT_PUBMED_11389596}}~~	+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[1e97]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Pseudomonas_putida Pseudomonas putida]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1E97 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1E97 FirstGlance]. <br>
		+	</td></tr><tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1c7h\|1c7h]], [[1dmm\|1dmm]], [[1dmn\|1dmn]], [[1dmq\|1dmq]], [[1e3n\|1e3n]], [[1e3r\|1e3r]], [[1e3v\|1e3v]], [[1opy\|1opy]], [[4tsu\|4tsu]]</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><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1e97 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1e97 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=1e97 RCSB], [http://www.ebi.ac.uk/pdbsum/1e97 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/e9/1e97_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 ==
		+	Delta5-3-ketosteroid isomerase (KSI) from Pseudomonas putida Biotype B catalyzes the allylic isomerization of Delta5-3-ketosteroids to their conjugated Delta4-isomers via a dienolate intermediate. Two electrophilic catalysts, Tyr-14 and Asp-99, are involved in a hydrogen bond network that comprises Asp-99 Odelta2...O of Wat504...Tyr-14 Oeta...Tyr-55 Oeta.Tyr-30 Oeta in the active site of P. putida KSI. Even though neither Tyr-30 nor Tyr-55 plays an essential role in catalysis by the KSI, the catalytic activity of Y14F could be increased ca. 26-51-fold by the additional Y30F and/or Y55F mutation in the hydrogen bond network. To identify the structural basis for the pseudoreversion in the KSI, crystal structures of Y14F and Y14F/Y30F/Y55F have been determined at 1.8 and 2.0 A resolution, respectively. Comparisons of the two structures near the catalytic center indicate that the hydrogen bond between Asp-99 Odelta2 and C3-O of the steroid, which is perturbed by the Y14F mutation, can be partially restored to that in the wild-type enzyme by the additional Y30F/Y55F mutations. The kinetic parameters of the tyrosine mutants with the additional D99N or D99L mutation also support the idea that Asp-99 contributes to catalysis more efficiently in Y14F/Y30F/Y55F than in Y14F. In contrast to the catalytic mechanism of Y14F, the C4 proton of the steroid substrate was found to be transferred to the C6 position in Y14F/Y30F/Y55F with little exchange of the substrate 4beta-proton with a solvent deuterium based on the reaction rate in D2O. Taken together, our findings strongly suggest that the improvement in the catalytic activity of Y14F by the additional Y30F/Y55F mutations is due to the changes in the structural integrity at the catalytic site and the resulting restoration of the proton-transfer mechanism in Y14F/Y30F/Y55F.

-	~~==About this Structure==~~	+	Pseudoreversion of the catalytic activity of Y14F by the additional substitution(s) of tyrosine with phenylalanine in the hydrogen bond network of delta 5-3-ketosteroid isomerase from Pseudomonas putida biotype B.,Choi G, Ha NC, Kim MS, Hong BH, Oh BH, Choi KY Biochemistry. 2001 Jun 12;40(23):6828-35. PMID:11389596<ref>PMID:11389596</ref>
-	~~[[1e97]] is a 1 chain structure~~ with ~~sequence~~ from ~~[http://en.wikipedia.org/wiki/Pseudomonas_putida~~ Pseudomonas putida]. ~~Full crystallographic information is available from [http~~://~~oca~~.~~weizmann~~.ac.il/~~oca-bin/ocashort?id=1E97 OCA].~~	+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>

	==See Also==		==See Also==
	*[[Ketosteroid Isomerase\|Ketosteroid Isomerase]]		*[[Ketosteroid Isomerase\|Ketosteroid Isomerase]]
-		+	== References ==
-	==~~Reference~~==	+	<references/>
-	<~~ref group="xtra">PMID:011389596<~~/~~ref~~><~~references group="xtra"~~/>	+	__TOC__
		+	</StructureSection>
	[[Category: Pseudomonas putida]]		[[Category: Pseudomonas putida]]
	[[Category: Steroid Delta-isomerase]]		[[Category: Steroid Delta-isomerase]]

OCA at 10:13, 11 March 2013

2013-03-11T10:13:28Z

←Older revision		Revision as of 10:13, 11 March 2013
Line 1:		Line 1:
-	[[Image:1e97.png\|left\|200px]]
-
	{{STRUCTURE_1e97\| PDB=1e97 \| SCENE= }}		{{STRUCTURE_1e97\| PDB=1e97 \| SCENE= }}
-
	===CRYSTAL STRUCTURE OF KETOSTEROID ISOMERASE FROM PSEUDOMONAS PUTIDA ; TRIPLE MUTANT Y16F/Y32F/Y57F===		===CRYSTAL STRUCTURE OF KETOSTEROID ISOMERASE FROM PSEUDOMONAS PUTIDA ; TRIPLE MUTANT Y16F/Y32F/Y57F===
-
	{{ABSTRACT_PUBMED_11389596}}		{{ABSTRACT_PUBMED_11389596}}

	==About this Structure==		==About this Structure==
	[[1e97]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Pseudomonas_putida Pseudomonas putida]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1E97 OCA].		[[1e97]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Pseudomonas_putida Pseudomonas putida]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1E97 OCA].
		+
		+	==See Also==
		+	*[[Ketosteroid Isomerase\|Ketosteroid Isomerase]]

	==Reference==		==Reference==