2inx - Revision history

OCA at 10:14, 30 August 2023

2023-08-30T10:14:06Z

← Older revision		Revision as of 10:14, 30 August 2023
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	<StructureSection load='2inx' size='340' side='right'caption='[[2inx]], [[Resolution\|resolution]] 1.50Å' scene=''>		<StructureSection load='2inx' size='340' side='right'caption='[[2inx]], [[Resolution\|resolution]] 1.50Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[2inx]] 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=2INX OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2INX FirstGlance]. <br>		<table><tr><td colspan='2'>[[2inx]] 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=2INX OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2INX FirstGlance]. <br>
	</td></tr><tr id='~~ligand~~'><td class="sblockLbl"><b>[[~~Ligand~~\|~~Ligands~~:]]</b></td><td class="sblockDat" id="~~ligandDat~~">~~<scene name='pdbligand=FFP:2~~,~~6-DIFLUOROPHENOL'>FFP</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]] 1.5Å</td></tr>
	<tr id='~~gene~~'><td class="sblockLbl"><b>[[~~Gene~~\|~~Gene~~:]]</b></td><td class="sblockDat"~~>ksi ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&~~id=~~303~~ "~~Bacillus fluorescens putidus~~" ~~Flugge 1886])</td~~><~~/tr>~~		<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=FFP:2,6-DIFLUOROPHENOL'>FFP</scene></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=2inx FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2inx OCA], [https://pdbe.org/2inx PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2inx RCSB], [https://www.ebi.ac.uk/pdbsum/2inx PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2inx 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=2inx FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2inx OCA], [https://pdbe.org/2inx PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2inx RCSB], [https://www.ebi.ac.uk/pdbsum/2inx PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2inx 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]]
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	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
	~~[[Category: Bacillus fluorescens putidus flugge 1886]]~~
	[[Category: Large Structures]]		[[Category: Large Structures]]
	[[Category: ~~Steroid Delta-isomerase~~]]		[[Category: Pseudomonas putida]]
	[[Category: ~~Caaveiro, J M.Martinez~~]]		[[Category: Herschlag D]]
	[[Category: ~~Herschlag,~~ D]]		[[Category: Kraut D]]
	[[Category: ~~Kraut, D~~]]		[[Category: Martinez Caaveiro JM]]
	[[Category: Petsko~~, G A~~]]		[[Category: Petsko GA]]
	[[Category: Pybus, B]]		[[Category: Pybus B]]
	[[Category: Ringe, D]]		[[Category: Ringe D]]
	[[Category: Sigala, P]]		[[Category: Sigala P]]
	~~[[Category: Active site]]~~
	~~[[Category: Charge distribution]]~~
	~~[[Category: Enzyme]]~~
	~~[[Category: Hydrogen bond]]~~
	~~[[Category: Isomerase]]~~
	~~[[Category: Ksi~~]]

OCA at 11:19, 31 March 2021

2021-03-31T11:19:34Z

OCA at 08:06, 4 July 2018

2018-07-04T08:06:49Z

← Older revision		Revision as of 08:06, 4 July 2018
Line 1:		Line 1:

	==Crystal Structure of Ketosteroid Isomerase D40N from Pseudomonas putida (pKSI) with bound 2,6-difluorophenol==		==Crystal Structure of Ketosteroid Isomerase D40N from Pseudomonas putida (pKSI) with bound 2,6-difluorophenol==
	<StructureSection load='2inx' size='340' side='right' caption='[[2inx]], [[Resolution\|resolution]] 1.50Å' scene=''>		<StructureSection load='2inx' size='340' side='right' caption='[[2inx]], [[Resolution\|resolution]] 1.50Å' scene=''>
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	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">ksi ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=303 "Bacillus fluorescens putidus" Flugge 1886])</td></tr>		<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">ksi ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=303 "Bacillus fluorescens putidus" Flugge 1886])</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=2inx FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2inx OCA], [http://pdbe.org/2inx PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2inx RCSB], [http://www.ebi.ac.uk/pdbsum/2inx 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=2inx FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2inx OCA], [http://pdbe.org/2inx PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2inx RCSB], [http://www.ebi.ac.uk/pdbsum/2inx PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=2inx ProSAT]</span></td></tr>
	</table>		</table>
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
Line 12:		Line 13:
	Check<jmol>		Check<jmol>
	<jmolCheckbox>		<jmolCheckbox>
	<scriptWhenChecked>select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/in/2inx_consurf.spt"</scriptWhenChecked>		<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/in/2inx_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>
	</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=2inx ConSurf].
	<div style="clear:both"></div>		<div style="clear:both"></div>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">

OCA at 12:52, 11 September 2015

2015-09-11T12:52:18Z

← Older revision		Revision as of 12:52, 11 September 2015
Line 2:		Line 2:
	<StructureSection load='2inx' size='340' side='right' caption='[[2inx]], [[Resolution\|resolution]] 1.50Å' scene=''>		<StructureSection load='2inx' size='340' side='right' caption='[[2inx]], [[Resolution\|resolution]] 1.50Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[2inx]] 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=2INX OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2INX FirstGlance]. <br>		<table><tr><td colspan='2'>[[2inx]] 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=2INX OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2INX FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=FFP:2,6-DIFLUOROPHENOL'>FFP</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=FFP:2,6-DIFLUOROPHENOL'>FFP</scene></td></tr>
	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">ksi ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=303 ~~Pseudomonas putida~~])</td></tr>		<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">ksi ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=303 "Bacillus fluorescens putidus" Flugge 1886])</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=2inx FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2inx OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2inx RCSB], [http://www.ebi.ac.uk/pdbsum/2inx 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=2inx FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2inx OCA], [http://pdbe.org/2inx PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2inx RCSB], [http://www.ebi.ac.uk/pdbsum/2inx PDBsum]</span></td></tr>
	</table>		</table>
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
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	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 2inx" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
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	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
	[[Category: ~~Pseudomonas putida~~]]		[[Category: Bacillus fluorescens putidus flugge 1886]]
	[[Category: Steroid Delta-isomerase]]		[[Category: Steroid Delta-isomerase]]
	[[Category: Caaveiro, J M.Martinez]]		[[Category: Caaveiro, J M.Martinez]]

OCA at 09:00, 16 January 2015

2015-01-16T09:00:59Z

← Older revision		Revision as of 09:00, 16 January 2015
Line 3:		Line 3:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[2inx]] 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=2INX OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2INX FirstGlance]. <br>		<table><tr><td colspan='2'>[[2inx]] 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=2INX OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2INX FirstGlance]. <br>
	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=FFP:2,6-DIFLUOROPHENOL'>FFP</scene><br>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=FFP:2,6-DIFLUOROPHENOL'>FFP</scene></td></tr>
	<tr><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">ksi ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=303 Pseudomonas putida])</td></tr>		<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">ksi ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=303 Pseudomonas putida])</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=2inx FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2inx OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2inx RCSB], [http://www.ebi.ac.uk/pdbsum/2inx 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=2inx FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2inx OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2inx RCSB], [http://www.ebi.ac.uk/pdbsum/2inx 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 35:		Line 35:
	[[Category: Pseudomonas putida]]		[[Category: Pseudomonas putida]]
	[[Category: Steroid Delta-isomerase]]		[[Category: Steroid Delta-isomerase]]
	[[Category: Caaveiro, J M.Martinez.]]		[[Category: Caaveiro, J M.Martinez]]
	[[Category: Herschlag, D.]]		[[Category: Herschlag, D]]
	[[Category: Kraut, D.]]		[[Category: Kraut, D]]
	[[Category: Petsko, G A.]]		[[Category: Petsko, G A]]
	[[Category: Pybus, B.]]		[[Category: Pybus, B]]
	[[Category: Ringe, D.]]		[[Category: Ringe, D]]
	[[Category: Sigala, P.]]		[[Category: Sigala, P]]
	[[Category: Active site]]		[[Category: Active site]]
	[[Category: Charge distribution]]		[[Category: Charge distribution]]

OCA at 10:31, 30 September 2014

2014-09-30T10:31:27Z

← Older revision		Revision as of 10:31, 30 September 2014
Line 1:		Line 1:
	~~{{STRUCTURE_2inx\| PDB=2inx \| SCENE= }}~~		==Crystal Structure of Ketosteroid Isomerase D40N from Pseudomonas putida (pKSI) with bound 2,6-difluorophenol==
	===Crystal Structure of Ketosteroid Isomerase D40N from Pseudomonas putida (pKSI) with bound 2,6-difluorophenol===		<StructureSection load='2inx' size='340' side='right' caption='[[2inx]], [[Resolution\|resolution]] 1.50Å' scene=''>
	~~{{ABSTRACT_PUBMED_18808119}}~~		== Structural highlights ==
			<table><tr><td colspan='2'>[[2inx]] 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=2INX OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2INX FirstGlance]. <br>
			</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=FFP:2,6-DIFLUOROPHENOL'>FFP</scene><br>
			<tr><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">ksi ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=303 Pseudomonas putida])</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=2inx FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2inx OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2inx RCSB], [http://www.ebi.ac.uk/pdbsum/2inx 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/in/2inx_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 ==
			Enzymes are classically proposed to accelerate reactions by binding substrates within active-site environments that are structurally preorganized to optimize binding interactions with reaction transition states rather than ground states. This is a remarkably formidable task considering the limited 0.1-1 A scale of most substrate rearrangements. The flexibility of active-site functional groups along the coordinate of substrate rearrangement, the distance scale on which enzymes can distinguish structural rearrangement, and the energetic significance of discrimination on that scale remain open questions that are fundamental to a basic physical understanding of enzyme active sites and catalysis. We bring together 1.2-1.5 A resolution X-ray crystallography, (1)H and (19)F NMR spectroscopy, quantum mechanical calculations, and transition-state analogue binding measurements to test the distance scale on which noncovalent forces can constrain the structural relaxation or translation of side chains and ligands along a specific coordinate and the energetic consequences of such geometric constraints within the active site of bacterial ketosteroid isomerase (KSI). Our results strongly suggest that packing and binding interactions within the KSI active site can constrain local side-chain reorientation and prevent hydrogen bond shortening by 0.1 A or less. Further, this constraint has substantial energetic effects on ligand binding and stabilization of negative charge within the oxyanion hole. These results provide evidence that subtle geometric effects, indistinguishable in most X-ray crystallographic structures, can have significant energetic consequences and highlight the importance of using synergistic experimental approaches to dissect enzyme function.

	~~==About this Structure==~~		Testing geometrical discrimination within an enzyme active site: constrained hydrogen bonding in the ketosteroid isomerase oxyanion hole.,Sigala PA, Kraut DA, Caaveiro JM, Pybus B, Ruben EA, Ringe D, Petsko GA, Herschlag D J Am Chem Soc. 2008 Oct 15;130(41):13696-708. Epub 2008 Sep 23. PMID:18808119<ref>PMID:18808119</ref>
	~~[[2inx]] 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=2INX 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:018808119<~~/~~ref~~><~~ref group="xtra">PMID:016602823</ref><references group="xtra"~~/>		__TOC__
			</StructureSection>
	[[Category: Pseudomonas putida]]		[[Category: Pseudomonas putida]]
	[[Category: Steroid Delta-isomerase]]		[[Category: Steroid Delta-isomerase]]

OCA at 10:54, 11 March 2013

2013-03-11T10:54:44Z

← Older revision		Revision as of 10:54, 11 March 2013
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	~~[[Image:2inx.png\|left\|200px]]~~

	{{STRUCTURE_2inx\| PDB=2inx \| SCENE= }}		{{STRUCTURE_2inx\| PDB=2inx \| SCENE= }}

	===Crystal Structure of Ketosteroid Isomerase D40N from Pseudomonas putida (pKSI) with bound 2,6-difluorophenol===		===Crystal Structure of Ketosteroid Isomerase D40N from Pseudomonas putida (pKSI) with bound 2,6-difluorophenol===

	{{ABSTRACT_PUBMED_18808119}}		{{ABSTRACT_PUBMED_18808119}}

OCA at 13:14, 30 January 2013

2013-01-30T13:14:08Z

← Older revision		Revision as of 13:14, 30 January 2013
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	[[Image:2inx.png\|left\|200px]]		[[Image:2inx.png\|left\|200px]]

	~~<!--~~
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	{{STRUCTURE_2inx\| PDB=2inx \| SCENE= }}		{{STRUCTURE_2inx\| PDB=2inx \| SCENE= }}

	===Crystal Structure of Ketosteroid Isomerase D40N from Pseudomonas putida (pKSI) with bound 2,6-difluorophenol===		===Crystal Structure of Ketosteroid Isomerase D40N from Pseudomonas putida (pKSI) with bound 2,6-difluorophenol===


	~~<!--~~
	~~The line below this paragraph, {{ABSTRACT_PUBMED_18808119}}, adds the Publication Abstract to the page~~
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	{{ABSTRACT_PUBMED_18808119}}		{{ABSTRACT_PUBMED_18808119}}

	==About this Structure==		==About this Structure==
	[[2inx]] 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=2INX OCA].		[[2inx]] 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=2INX OCA].

			==See Also==
			*[[Ketosteroid Isomerase\|Ketosteroid Isomerase]]

	==Reference==		==Reference==
	<ref group="xtra">PMID:~~18808119~~</ref><ref group="xtra">PMID:~~16602823~~</ref><references group="xtra"/>		<ref group="xtra">PMID:018808119</ref><ref group="xtra">PMID:016602823</ref><references group="xtra"/>
	[[Category: Pseudomonas putida]]		[[Category: Pseudomonas putida]]
	[[Category: Steroid Delta-isomerase]]		[[Category: Steroid Delta-isomerase]]
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	[[Category: Sigala, P.]]		[[Category: Sigala, P.]]
	[[Category: Active site]]		[[Category: Active site]]
	~~[[Category: Binding]]~~
	[[Category: Charge distribution]]		[[Category: Charge distribution]]
	[[Category: Enzyme]]		[[Category: Enzyme]]

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

2011-03-14T23:31:55Z

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

← Older revision	Revision as of 23:31, 14 March 2011
(No difference)

OCA at 23:31, 14 March 2011

2011-03-14T23:31:54Z

← Older revision		Revision as of 23:31, 14 March 2011
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	~~{{Seed}}~~
	[[Image:2inx.png\|left\|200px]]		[[Image:2inx.png\|left\|200px]]

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	==About this Structure==		==About this Structure==
	~~2INX~~ is a 1 chain structure of 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=2INX OCA].		[[2inx]] 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=2INX OCA].

	==Reference==		==Reference==
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	[[Category: Isomerase]]		[[Category: Isomerase]]
	[[Category: Ksi]]		[[Category: Ksi]]

	~~''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Tue Feb 17 22:03:11 2009''~~

← Older revision		Revision as of 11:19, 31 March 2021
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	==Crystal Structure of Ketosteroid Isomerase D40N from Pseudomonas putida (pKSI) with bound 2,6-difluorophenol==		==Crystal Structure of Ketosteroid Isomerase D40N from Pseudomonas putida (pKSI) with bound 2,6-difluorophenol==
	<StructureSection load='2inx' size='340' side='right' caption='[[2inx]], [[Resolution\|resolution]] 1.50Å' scene=''>		<StructureSection load='2inx' size='340' side='right'caption='[[2inx]], [[Resolution\|resolution]] 1.50Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[2inx]] 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=2INX OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=2INX FirstGlance]. <br>		<table><tr><td colspan='2'>[[2inx]] 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=2INX OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2INX FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=FFP:2,6-DIFLUOROPHENOL'>FFP</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=FFP:2,6-DIFLUOROPHENOL'>FFP</scene></td></tr>
	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">ksi ([~~http~~://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=303 "Bacillus fluorescens putidus" Flugge 1886])</td></tr>		<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">ksi ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=303 "Bacillus fluorescens putidus" Flugge 1886])</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=2inx FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2inx OCA], [~~http~~://pdbe.org/2inx PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=2inx RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/2inx PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=2inx 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=2inx FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2inx OCA], [https://pdbe.org/2inx PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2inx RCSB], [https://www.ebi.ac.uk/pdbsum/2inx PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2inx ProSAT]</span></td></tr>
	</table>		</table>
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
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	</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: Caaveiro, J M.Martinez]]		[[Category: Caaveiro, J M.Martinez]]