3rj5 - Revision history

OCA at 12:25, 14 March 2024

OCA — Thu, 14 Mar 2024 12:25:44 GMT

←Older revision		Revision as of 12:25, 14 March 2024
Line 3:		Line 3:
	<StructureSection load='3rj5' size='340' side='right'caption='[[3rj5]], [[Resolution\|resolution]] 1.45Å' scene=''>		<StructureSection load='3rj5' size='340' side='right'caption='[[3rj5]], [[Resolution\|resolution]] 1.45Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3rj5]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/~~Drole Drole~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3RJ5 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3RJ5 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3rj5]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Scaptodrosophila_lebanonensis Scaptodrosophila lebanonensis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3RJ5 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3RJ5 FirstGlance]. <br>
-	</td></tr><tr id='~~ligand~~'><td class="sblockLbl"><b>[[~~Ligand~~\|~~Ligands~~:]]</b></td><td class="sblockDat" id="~~ligandDat~~">~~<scene name='pdbligand=ACY:ACETIC+ACID'>ACY</scene>~~, ~~<scene name='pdbligand=NAD:NICOTINAMIDE-ADENINE-DINUCLEOTIDE'>NAD</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]] 1.45Å</td></tr>
-	~~<tr id='related'><td class="sblockLbl"><b>~~[[~~Related_structure~~\|~~Related:~~]]~~</b></td><td class="sblockDat"><div style='overflow: auto~~; ~~max-height: 3em;'>[[1a4u\|1a4u]], [[1b15\|1b15]]</div>~~</td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=ACY:ACETIC+ACID'>ACY</scene>, <scene name='pdbligand=NAD:NICOTINAMIDE-ADENINE-DINUCLEOTIDE'>NAD</scene></td></tr>
-	<tr id='~~gene~~'><td class="sblockLbl"><b>[[~~Gene~~\|~~Gene~~:]]</b></td><td class="sblockDat"~~>Adh ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&~~id=~~7225 DROLE])</td~~><~~/tr>~~	+
-	~~<tr id~~='~~activity'><td class~~=~~"sblockLbl"><b>Activity~~:~~</b~~></td><~~td class~~=~~"sblockDat"><span class~~=~~'plainlinks~~'>~~[https://en.wikipedia.org/wiki/Alcohol_dehydrogenase Alcohol dehydrogenase], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.1.1.1 1.1.1.1]~~ </~~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=3rj5 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3rj5 OCA], [https://pdbe.org/3rj5 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3rj5 RCSB], [https://www.ebi.ac.uk/pdbsum/3rj5 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3rj5 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=3rj5 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3rj5 OCA], [https://pdbe.org/3rj5 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3rj5 RCSB], [https://www.ebi.ac.uk/pdbsum/3rj5 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3rj5 ProSAT]</span></td></tr>
	</table>		</table>
-	~~<div style~~=~~"background-color:#fffaf0;">~~	+	== Function ==
-	=~~= Publication Abstract from PubMed~~ ==	+	[https://www.uniprot.org/uniprot/ADH_DROLE ADH_DROLE]
-	All drosophilid alcohol dehydrogenases contain an eight-member water chain connecting the active site with the solvent at the dimer interface. A similar water chain has also been shown to exist in other short-chain dehydrogenase/reductase (SDR) enzymes, including therapeutically important SDRs. The role of this water chain in the enzymatic reaction is unknown, but it has been proposed to be involved in a proton relay system. In the present study, a connecting link in the water chain was removed by mutating Thr114 to Val114 in Scaptodrosophila lebanonensis alcohol dehydrogenase (SlADH). This threonine is conserved in all drosophilid alcohol dehydrogenases but not in other SDRs. X-ray crystallography of the SlADH(T114V) mutant revealed a broken water chain, the overall 3D structure of the binary enzyme-NAD(+) complex was almost identical to the wild-type enzyme (SlADH(wt) ). As for the SlADH(wt) , steady-state kinetic studies revealed that catalysis by the SlADH(T114V) mutant was consistent with a compulsory ordered reaction mechanism where the co-enzyme binds to the free enzyme. The mutation caused a reduction of the k(on) velocity for NAD(+) and its binding strength to the enzyme, as well as the rate of hydride transfer (k) in the ternary enzyme-NAD(+) -alcohol complex. Furthermore, it increased the pK(a) value of the group in the binary enzyme-NAD(+) complex that regulates the k(on) velocity of alcohol and alcohol-competitive inhibitors. Overall, the results indicate that an intact water chain is essential for optimal enzyme activity and participates in a proton relay system during catalysis. Database The X-ray crystallography data are available in under Protein Data Bank accession numbers 3RJ5 (SlADH(T114V) structure determined from C2 crystals) and 3RJ9 (SlADH(T114V) structure determined from P2(1) crystals) Structured digital abstract * SlADH T114V and SlADH T114V bind by x-ray crystallography (View Interaction: ~~1, 2).~~	+
-		+
-	An intact eight-membered water chain in drosophilid alcohol dehydrogenases is essential for optimal enzyme activity.,Wuxiuer Y, Morgunova E, Cols N, Popov A, Karshikoff A, Sylte I, Gonzalez-Duarte R, Ladenstein R, Winberg JO FEBS J. 2012 Aug;279(16):2940-2956. doi: 10.1111/~~j.1742-4658.2012.08675.x. Epub, 2012 Jul 19. PMID:22741949<ref>PMID:22741949<~~/~~ref>~~	+
-		+
-	~~From MEDLINE®/PubMed®, a database of the U~~.S. ~~National Library of Medicine.<br>~~	+
-	</~~div>~~	+
-	~~<div class="pdbe-citations 3rj5" style="background-color:#fffaf0;"><~~/~~div>~~	+

	==See Also==		==See Also==
	*[[Alcohol dehydrogenase 3D structures\|Alcohol dehydrogenase 3D structures]]		*[[Alcohol dehydrogenase 3D structures\|Alcohol dehydrogenase 3D structures]]
-	== References ==
-	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: Alcohol dehydrogenase]]
-	[[Category: Drole]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Cols, N]]	+	[[Category: Scaptodrosophila lebanonensis]]
-	[[Category: Gonzales-Duarte, R]]	+	[[Category: Cols N]]
-	[[Category: Karshikoff, A]]	+	[[Category: Gonzales-Duarte R]]
-	[[Category: Ladenstein, R]]	+	[[Category: Karshikoff A]]
-	[[Category: Morgunova, E]]	+	[[Category: Ladenstein R]]
-	[[Category: Popov, A]]	+	[[Category: Morgunova E]]
-	[[Category: Sylte, I]]	+	[[Category: Popov A]]
-	[[Category: Winberg~~, J O~~]]	+	[[Category: Sylte I]]
-	[[Category: Wuxiuer, Y]]	+	[[Category: Winberg JO]]
-	~~[[Category: Detoxification]]~~	+	[[Category: Wuxiuer Y]]
-	~~[[Category: Nad metabolism]]~~	+
-	~~[[Category: Oxidoreductase]]~~	+
-	~~[[Category: Short-chain dehydrogenases/reductase~~]]	+

OCA at 10:12, 22 June 2022

OCA — Wed, 22 Jun 2022 10:12:50 GMT

←Older revision		Revision as of 10:12, 22 June 2022
Line 1:		Line 1:

	==Structure of alcohol dehydrogenase from Drosophila lebanonesis T114V mutant complexed with NAD+==		==Structure of alcohol dehydrogenase from Drosophila lebanonesis T114V mutant complexed with NAD+==
-	<StructureSection load='3rj5' size='340' side='right' caption='[[3rj5]], [[Resolution\|resolution]] 1.45Å' scene=''>	+	<StructureSection load='3rj5' size='340' side='right'caption='[[3rj5]], [[Resolution\|resolution]] 1.45Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3rj5]] is a 2 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/Drole Drole]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3RJ5 OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=3RJ5 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3rj5]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Drole Drole]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3RJ5 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3RJ5 FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=ACY:ACETIC+ACID'>ACY</scene>, <scene name='pdbligand=NAD:NICOTINAMIDE-ADENINE-DINUCLEOTIDE'>NAD</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=ACY:ACETIC+ACID'>ACY</scene>, <scene name='pdbligand=NAD:NICOTINAMIDE-ADENINE-DINUCLEOTIDE'>NAD</scene></td></tr>
-	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1a4u\|1a4u]], [[1b15\|1b15]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[1a4u\|1a4u]], [[1b15\|1b15]]</div></td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">Adh ([~~http~~://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=7225 DROLE])</td></tr>	+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">Adh ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=7225 DROLE])</td></tr>
-	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[~~http~~://en.wikipedia.org/wiki/Alcohol_dehydrogenase Alcohol dehydrogenase], with EC number [~~http~~://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.1.1.1 1.1.1.1] </span></td></tr>	+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/Alcohol_dehydrogenase Alcohol dehydrogenase], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.1.1.1 1.1.1.1] </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=3rj5 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3rj5 OCA], [~~http~~://pdbe.org/3rj5 PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=3rj5 RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/3rj5 PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=3rj5 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=3rj5 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3rj5 OCA], [https://pdbe.org/3rj5 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3rj5 RCSB], [https://www.ebi.ac.uk/pdbsum/3rj5 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3rj5 ProSAT]</span></td></tr>
	</table>		</table>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
Line 21:		Line 21:

	==See Also==		==See Also==
-	*[[Alcohol dehydrogenase\|Alcohol dehydrogenase]]	+	*[[Alcohol dehydrogenase 3D structures\|Alcohol dehydrogenase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
Line 28:		Line 28:
	[[Category: Alcohol dehydrogenase]]		[[Category: Alcohol dehydrogenase]]
	[[Category: Drole]]		[[Category: Drole]]
		+	[[Category: Large Structures]]
	[[Category: Cols, N]]		[[Category: Cols, N]]
	[[Category: Gonzales-Duarte, R]]		[[Category: Gonzales-Duarte, R]]

OCA at 11:23, 10 December 2016

OCA — Sat, 10 Dec 2016 11:23:42 GMT

←Older revision		Revision as of 11:23, 10 December 2016
Line 1:		Line 1:
		+
	==Structure of alcohol dehydrogenase from Drosophila lebanonesis T114V mutant complexed with NAD+==		==Structure of alcohol dehydrogenase from Drosophila lebanonesis T114V mutant complexed with NAD+==
	<StructureSection load='3rj5' size='340' side='right' caption='[[3rj5]], [[Resolution\|resolution]] 1.45Å' scene=''>		<StructureSection load='3rj5' size='340' side='right' caption='[[3rj5]], [[Resolution\|resolution]] 1.45Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3rj5]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/~~Scaptodrosophila_lebanonensis Scaptodrosophila lebanonensis~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3RJ5 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3RJ5 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3rj5]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Drole Drole]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3RJ5 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3RJ5 FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=ACY:ACETIC+ACID'>ACY</scene>, <scene name='pdbligand=NAD:NICOTINAMIDE-ADENINE-DINUCLEOTIDE'>NAD</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=ACY:ACETIC+ACID'>ACY</scene>, <scene name='pdbligand=NAD:NICOTINAMIDE-ADENINE-DINUCLEOTIDE'>NAD</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1a4u\|1a4u]], [[1b15\|1b15]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1a4u\|1a4u]], [[1b15\|1b15]]</td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">Adh ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=7225 ~~Scaptodrosophila lebanonensis~~])</td></tr>	+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">Adh ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=7225 DROLE])</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Alcohol_dehydrogenase Alcohol dehydrogenase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.1.1.1 1.1.1.1] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Alcohol_dehydrogenase Alcohol dehydrogenase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.1.1.1 1.1.1.1] </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=3rj5 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3rj5 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3rj5 RCSB], [http://www.ebi.ac.uk/pdbsum/3rj5 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=3rj5 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3rj5 OCA], [http://pdbe.org/3rj5 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3rj5 RCSB], [http://www.ebi.ac.uk/pdbsum/3rj5 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=3rj5 ProSAT]</span></td></tr>
	</table>		</table>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
Line 17:		Line 18:
	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>		From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
	</div>		</div>
		+	<div class="pdbe-citations 3rj5" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
Line 25:		Line 27:
	</StructureSection>		</StructureSection>
	[[Category: Alcohol dehydrogenase]]		[[Category: Alcohol dehydrogenase]]
-	[[Category: ~~Scaptodrosophila lebanonensis~~]]	+	[[Category: Drole]]
	[[Category: Cols, N]]		[[Category: Cols, N]]
	[[Category: Gonzales-Duarte, R]]		[[Category: Gonzales-Duarte, R]]

OCA at 11:55, 9 December 2014

OCA — Tue, 09 Dec 2014 11:55:30 GMT

←Older revision		Revision as of 11:55, 9 December 2014
Line 1:		Line 1:
-	[[~~Image:~~3rj5.~~png~~\|~~left~~\|~~200px~~]]	+	==Structure of alcohol dehydrogenase from Drosophila lebanonesis T114V mutant complexed with NAD+==
		+	<StructureSection load='3rj5' size='340' side='right' caption='[[3rj5]], [[Resolution\|resolution]] 1.45Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[3rj5]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Scaptodrosophila_lebanonensis Scaptodrosophila lebanonensis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3RJ5 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3RJ5 FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=ACY:ACETIC+ACID'>ACY</scene>, <scene name='pdbligand=NAD:NICOTINAMIDE-ADENINE-DINUCLEOTIDE'>NAD</scene></td></tr>
		+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1a4u\|1a4u]], [[1b15\|1b15]]</td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">Adh ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=7225 Scaptodrosophila lebanonensis])</td></tr>
		+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Alcohol_dehydrogenase Alcohol dehydrogenase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.1.1.1 1.1.1.1] </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=3rj5 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3rj5 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3rj5 RCSB], [http://www.ebi.ac.uk/pdbsum/3rj5 PDBsum]</span></td></tr>
		+	</table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	All drosophilid alcohol dehydrogenases contain an eight-member water chain connecting the active site with the solvent at the dimer interface. A similar water chain has also been shown to exist in other short-chain dehydrogenase/reductase (SDR) enzymes, including therapeutically important SDRs. The role of this water chain in the enzymatic reaction is unknown, but it has been proposed to be involved in a proton relay system. In the present study, a connecting link in the water chain was removed by mutating Thr114 to Val114 in Scaptodrosophila lebanonensis alcohol dehydrogenase (SlADH). This threonine is conserved in all drosophilid alcohol dehydrogenases but not in other SDRs. X-ray crystallography of the SlADH(T114V) mutant revealed a broken water chain, the overall 3D structure of the binary enzyme-NAD(+) complex was almost identical to the wild-type enzyme (SlADH(wt) ). As for the SlADH(wt) , steady-state kinetic studies revealed that catalysis by the SlADH(T114V) mutant was consistent with a compulsory ordered reaction mechanism where the co-enzyme binds to the free enzyme. The mutation caused a reduction of the k(on) velocity for NAD(+) and its binding strength to the enzyme, as well as the rate of hydride transfer (k) in the ternary enzyme-NAD(+) -alcohol complex. Furthermore, it increased the pK(a) value of the group in the binary enzyme-NAD(+) complex that regulates the k(on) velocity of alcohol and alcohol-competitive inhibitors. Overall, the results indicate that an intact water chain is essential for optimal enzyme activity and participates in a proton relay system during catalysis. Database The X-ray crystallography data are available in under Protein Data Bank accession numbers 3RJ5 (SlADH(T114V) structure determined from C2 crystals) and 3RJ9 (SlADH(T114V) structure determined from P2(1) crystals) Structured digital abstract * SlADH T114V and SlADH T114V bind by x-ray crystallography (View Interaction: 1, 2).

-	~~{{STRUCTURE_3rj5\| PDB=3rj5 \| SCENE= }}~~	+	An intact eight-membered water chain in drosophilid alcohol dehydrogenases is essential for optimal enzyme activity.,Wuxiuer Y, Morgunova E, Cols N, Popov A, Karshikoff A, Sylte I, Gonzalez-Duarte R, Ladenstein R, Winberg JO FEBS J. 2012 Aug;279(16):2940-2956. doi: 10.1111/j.1742-4658.2012.08675.x. Epub, 2012 Jul 19. PMID:22741949<ref>PMID:22741949</ref>

-	~~===Structure~~ of ~~alcohol dehydrogenase from Drosophila lebanonesis T114V mutant complexed with NAD+===~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-		+	</div>
-	~~{{ABSTRACT_PUBMED_22741949}}~~	+
-		+
-	~~==About this Structure==~~	+
-	~~[[3rj5]] is a 2 chain structure with sequence from [http://en~~.~~wikipedia~~.~~org/wiki/Scaptodrosophila_lebanonensis Scaptodrosophila lebanonensis]~~. ~~Full crystallographic information is available from [http:~~/~~/oca.weizmann.ac.il/oca-bin/ocashort?id=3RJ5 OCA].~~	+

	==See Also==		==See Also==
	*[[Alcohol dehydrogenase\|Alcohol dehydrogenase]]		*[[Alcohol dehydrogenase\|Alcohol dehydrogenase]]
-		+	== References ==
-	==~~Reference~~==	+	<references/>
-	<~~ref group="xtra">PMID:022741949<~~/~~ref~~><~~references group="xtra"~~/>	+	__TOC__
		+	</StructureSection>
	[[Category: Alcohol dehydrogenase]]		[[Category: Alcohol dehydrogenase]]
	[[Category: Scaptodrosophila lebanonensis]]		[[Category: Scaptodrosophila lebanonensis]]
-	[[Category: Cols, N.]]	+	[[Category: Cols, N]]
-	[[Category: Gonzales-Duarte, R.]]	+	[[Category: Gonzales-Duarte, R]]
-	[[Category: Karshikoff, A.]]	+	[[Category: Karshikoff, A]]
-	[[Category: Ladenstein, R.]]	+	[[Category: Ladenstein, R]]
-	[[Category: Morgunova, E.]]	+	[[Category: Morgunova, E]]
-	[[Category: Popov, A.]]	+	[[Category: Popov, A]]
-	[[Category: Sylte, I.]]	+	[[Category: Sylte, I]]
-	[[Category: Winberg, J O.]]	+	[[Category: Winberg, J O]]
-	[[Category: Wuxiuer, Y.]]	+	[[Category: Wuxiuer, Y]]
	[[Category: Detoxification]]		[[Category: Detoxification]]
	[[Category: Nad metabolism]]		[[Category: Nad metabolism]]
	[[Category: Oxidoreductase]]		[[Category: Oxidoreductase]]
	[[Category: Short-chain dehydrogenases/reductase]]		[[Category: Short-chain dehydrogenases/reductase]]

OCA at 05:59, 20 October 2012

OCA — Sat, 20 Oct 2012 05:59:47 GMT

←Older revision		Revision as of 05:59, 20 October 2012
Line 8:		Line 8:

	==About this Structure==		==About this Structure==
-	[[3rj5]] is a 2 chain structure ~~of [[Alcohol dehydrogenase]]~~ with sequence from [http://en.wikipedia.org/wiki/Scaptodrosophila_lebanonensis Scaptodrosophila lebanonensis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3RJ5 OCA].	+	[[3rj5]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Scaptodrosophila_lebanonensis Scaptodrosophila lebanonensis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3RJ5 OCA].

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

OCA at 05:07, 1 August 2012

OCA — Wed, 01 Aug 2012 05:07:37 GMT

←Older revision		Revision as of 05:07, 1 August 2012
Line 5:		Line 5:
	===Structure of alcohol dehydrogenase from Drosophila lebanonesis T114V mutant complexed with NAD+===		===Structure of alcohol dehydrogenase from Drosophila lebanonesis T114V mutant complexed with NAD+===

		+	{{ABSTRACT_PUBMED_22741949}}

	==About this Structure==		==About this Structure==
Line 11:		Line 12:
	==See Also==		==See Also==
	*[[Alcohol dehydrogenase\|Alcohol dehydrogenase]]		*[[Alcohol dehydrogenase\|Alcohol dehydrogenase]]
		+
		+	==Reference==
		+	<ref group="xtra">PMID:022741949</ref><references group="xtra"/>
	[[Category: Alcohol dehydrogenase]]		[[Category: Alcohol dehydrogenase]]
	[[Category: Scaptodrosophila lebanonensis]]		[[Category: Scaptodrosophila lebanonensis]]

OCA at 04:42, 18 July 2012

OCA — Wed, 18 Jul 2012 04:42:58 GMT

←Older revision		Revision as of 04:42, 18 July 2012
Line 1:		Line 1:
-	[[Image:3rj5.~~jpg~~\|left\|200px]]	+	[[Image:3rj5.png\|left\|200px]]

-	<!--
-	The line below this paragraph, containing "STRUCTURE_3rj5", 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_3rj5\| PDB=3rj5 \| SCENE= }}		{{STRUCTURE_3rj5\| PDB=3rj5 \| SCENE= }}

Line 13:		Line 7:

	==About this Structure==		==About this Structure==
-	[[3rj5]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Scaptodrosophila_lebanonensis Scaptodrosophila lebanonensis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3RJ5 OCA].	+	[[3rj5]] is a 2 chain structure of [[Alcohol dehydrogenase]] with sequence from [http://en.wikipedia.org/wiki/Scaptodrosophila_lebanonensis Scaptodrosophila lebanonensis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3RJ5 OCA].
		+
		+	==See Also==
		+	*[[Alcohol dehydrogenase\|Alcohol dehydrogenase]]
	[[Category: Alcohol dehydrogenase]]		[[Category: Alcohol dehydrogenase]]
	[[Category: Scaptodrosophila lebanonensis]]		[[Category: Scaptodrosophila lebanonensis]]

OCA at 19:22, 2 May 2012

OCA — Wed, 02 May 2012 19:22:49 GMT

←Older revision		Revision as of 19:22, 2 May 2012
Line 1:		Line 1:
-	~~'''Unreleased structure'''~~	+	[[Image:3rj5.jpg\|left\|200px]]

-	The ~~entry 3rj5~~ is ~~ON HOLD~~ ~~until Paper Publication~~	+	<!--
		+	The line below this paragraph, containing "STRUCTURE_3rj5", 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_3rj5\| PDB=3rj5 \| SCENE= }}

-	~~Authors: Morgunova, E., Wuxiuer, Y., Cols, N., Popov, A., Sylte, I., Karshikoff, A., Gonzales-Duarte, R., Ladenstein, R., Winberg, J.O.~~	+	===Structure of alcohol dehydrogenase from Drosophila lebanonesis T114V mutant complexed with NAD+===

-	~~Description:~~ Structure ~~of alcohol dehydrogenase from Drosophila lebanonesis T114V mutant complexed~~ with ~~NAD+~~	+
		+	==About this Structure==
		+	[[3rj5]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Scaptodrosophila_lebanonensis Scaptodrosophila lebanonensis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3RJ5 OCA].
		+	[[Category: Alcohol dehydrogenase]]
		+	[[Category: Scaptodrosophila lebanonensis]]
		+	[[Category: Cols, N.]]
		+	[[Category: Gonzales-Duarte, R.]]
		+	[[Category: Karshikoff, A.]]
		+	[[Category: Ladenstein, R.]]
		+	[[Category: Morgunova, E.]]
		+	[[Category: Popov, A.]]
		+	[[Category: Sylte, I.]]
		+	[[Category: Winberg, J O.]]
		+	[[Category: Wuxiuer, Y.]]
		+	[[Category: Detoxification]]
		+	[[Category: Nad metabolism]]
		+	[[Category: Oxidoreductase]]
		+	[[Category: Short-chain dehydrogenases/reductase]]

OCA at 05:21, 1 June 2011

OCA — Wed, 01 Jun 2011 05:21:25 GMT

←Older revision		Revision as of 05:21, 1 June 2011
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 3rj5 is ON HOLD	+	The entry 3rj5 is ON HOLD until Paper Publication

	Authors: Morgunova, E., Wuxiuer, Y., Cols, N., Popov, A., Sylte, I., Karshikoff, A., Gonzales-Duarte, R., Ladenstein, R., Winberg, J.O.		Authors: Morgunova, E., Wuxiuer, Y., Cols, N., Popov, A., Sylte, I., Karshikoff, A., Gonzales-Duarte, R., Ladenstein, R., Winberg, J.O.

	Description: Structure of alcohol dehydrogenase from Drosophila lebanonesis T114V mutant complexed with NAD+		Description: Structure of alcohol dehydrogenase from Drosophila lebanonesis T114V mutant complexed with NAD+

OCA: Protected "3rj5" [edit=sysop:move=sysop]

OCA — Wed, 27 Apr 2011 06:56:34 GMT

Protected "3rj5" [edit=sysop:move=sysop]

←Older revision

Revision as of 06:56, 27 April 2011