1zjz - Revision history

OCA at 09:05, 14 February 2024

2024-02-14T09:05:25Z

←Older revision		Revision as of 09:05, 14 February 2024
Line 3:		Line 3:
	<StructureSection load='1zjz' size='340' side='right'caption='[[1zjz]], [[Resolution\|resolution]] 1.10Å' scene=''>		<StructureSection load='1zjz' size='340' side='right'caption='[[1zjz]], [[Resolution\|resolution]] 1.10Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[1zjz]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/~~"bacillus_casei_g"_von_freudenreich_and_thoni_1904 "bacillus casei g" von freudenreich and thoni 1904~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1ZJZ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1ZJZ FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[1zjz]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Levilactobacillus_brevis Levilactobacillus brevis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1ZJZ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1ZJZ FirstGlance]. <br>
-	</td></tr><tr id='~~ligand~~'><td class="sblockLbl"><b>[[~~Ligand~~\|~~Ligands~~:]]</b></td><td class="sblockDat" id="~~ligandDat~~">~~<scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=NAD:NICOTINAMIDE~~-~~ADENINE-DINUCLEOTIDE'>NAD</scene>~~, ~~<scene name='pdbligand=SS2:(1R)-~~1~~-PHENYLETHANOL'>SS2</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]] 1.1Å</td></tr>
-	<tr id='~~related~~'><td class="sblockLbl"><b>[[~~Related_structure~~\|~~Related~~:]]</b></td><td class="sblockDat"><~~div style~~='~~overflow~~: ~~auto; max-height: 3em;~~'>~~[[1nxq\|1nxq]], [[1zjy\|1zjy]], [[1zk0\|1zk0]], [[1zk1\|1zk1]], [[1zk2\|1zk2]], [[1zk3\|1zk3]], [[1zk4\|1zk4]]~~</~~div~~><~~/td></tr>~~	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=NAD:NICOTINAMIDE-ADENINE-DINUCLEOTIDE'>NAD</scene>, <scene name='pdbligand=SS2:(1R)-1-PHENYLETHANOL'>SS2</scene></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_~~(~~NADP(+~~)~~) Alcohol dehydrogenase (NADP(+))], with EC number [https://www.brenda~~-~~enzymes.info/php/result_flat.php4?ecno=~~1~~.1.1.2 1.1.1.2]~~ </~~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=1zjz FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1zjz OCA], [https://pdbe.org/1zjz PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1zjz RCSB], [https://www.ebi.ac.uk/pdbsum/1zjz PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1zjz 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=1zjz FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1zjz OCA], [https://pdbe.org/1zjz PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1zjz RCSB], [https://www.ebi.ac.uk/pdbsum/1zjz PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1zjz ProSAT]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/Q84EX5_LEVBR Q84EX5_LEVBR]
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
	[[Image:Consurf_key_small.gif\|200px\|right]]		[[Image:Consurf_key_small.gif\|200px\|right]]
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	</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=1zjz 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=1zjz ConSurf].
	<div style="clear:both"></div>		<div style="clear:both"></div>
-	<div style="background-color:#fffaf0;">
-	== Publication Abstract from PubMed ==
-	The R-specific alcohol dehydrogenase (RADH) from Lactobacillus brevis is an NADP-dependent, homotetrameric member of the extended enzyme family of short-chain dehydrogenases/reductases (SDR) with a high biotechnological application potential. Its preferred in vitro substrates are prochiral ketones like acetophenone with almost invariably a small methyl group as one substituent and a bulky (often aromatic) moiety as the other. On the basis of an atomic-resolution structure of wild-type RADH in complex with NADP and acetophenone, we designed the mutant RADH-G37D, which should possess an improved cosubstrate specificity profile for biotechnological purposes, namely, a preference for NAD rather than NADP. Comparative kinetic measurements with wild-type and mutant RADH showed that this aim was achieved. To characterize the successful mutant structurally, we determined several, partly atomic-resolution, crystal structures of RADH-G37D both as an apo-enzyme and as ternary complex with NAD or NADH and phenylethanol. The increased affinity of RADH-G37D for NAD(H) depends on an interaction between the adenosine ribose moiety of NAD and the inserted aspartate side-chain. A structural comparison between RADH-G37D as apo-enzyme and as a part of a ternary complex revealed significant rearrangements of Ser141, Glu144, Tyr189 and Met205 in the vicinity of the active site. This plasticity contributes to generate a small hydrophobic pocket for the methyl group typical for RADH substrates, and a hydrophobic coat for the second, more variable and often aromatic, substituent. Around Ser141 we even found alternative conformations in the backbone. A structural adaptability in this region, which we describe here for the first time for an SDR enzyme, is probably functionally important, because it concerns Ser142, a member of the highly conserved catalytic tetrad typical for SDR enzymes. Moreover, it affects an extended proton relay system that has been identified recently as a critical element for the catalytic mechanism in SDR enzymes.
-
-	Atomic resolution structures of R-specific alcohol dehydrogenase from Lactobacillus brevis provide the structural bases of its substrate and cosubstrate specificity.,Schlieben NH, Niefind K, Muller J, Riebel B, Hummel W, Schomburg D J Mol Biol. 2005 Jun 17;349(4):801-13. PMID:15896805<ref>PMID:15896805</ref>
-
-	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	</div>
-	<div class="pdbe-citations 1zjz" 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: Bacillus casei g von freudenreich and thoni 1904]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Hummel, W]]	+	[[Category: Levilactobacillus brevis]]
-	[[Category: Muller, J]]	+	[[Category: Hummel W]]
-	[[Category: Niefind, K]]	+	[[Category: Muller J]]
-	[[Category: Riebel, B]]	+	[[Category: Niefind K]]
-	[[Category: Schlieben~~, N H~~]]	+	[[Category: Riebel B]]
-	[[Category: Schomburg, D]]	+	[[Category: Schlieben NH]]
-	~~[[Category: Magnesium dependence]]~~	+	[[Category: Schomburg D]]
-	~~[[Category: Oxidoreductase]]~~	+
-	~~[[Category: R-specific alcohol dehydrogenase]]~~	+
-	~~[[Category: Short chain reductases/dehydrogenase~~]]	+

OCA at 17:01, 20 October 2021

2021-10-20T17:01:10Z

←Older revision		Revision as of 17:01, 20 October 2021
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	<StructureSection load='1zjz' size='340' side='right'caption='[[1zjz]], [[Resolution\|resolution]] 1.10Å' scene=''>		<StructureSection load='1zjz' size='340' side='right'caption='[[1zjz]], [[Resolution\|resolution]] 1.10Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[1zjz]] is a 1 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/"bacillus_casei_g"_von_freudenreich_and_thoni_1904 "bacillus casei g" von freudenreich and thoni 1904]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1ZJZ OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=1ZJZ FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[1zjz]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/"bacillus_casei_g"_von_freudenreich_and_thoni_1904 "bacillus casei g" von freudenreich and thoni 1904]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1ZJZ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1ZJZ FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=NAD:NICOTINAMIDE-ADENINE-DINUCLEOTIDE'>NAD</scene>, <scene name='pdbligand=SS2:(1R)-1-PHENYLETHANOL'>SS2</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=NAD:NICOTINAMIDE-ADENINE-DINUCLEOTIDE'>NAD</scene>, <scene name='pdbligand=SS2:(1R)-1-PHENYLETHANOL'>SS2</scene></td></tr>
-	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1nxq\|1nxq]], [[1zjy\|1zjy]], [[1zk0\|1zk0]], [[1zk1\|1zk1]], [[1zk2\|1zk2]], [[1zk3\|1zk3]], [[1zk4\|1zk4]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[1nxq\|1nxq]], [[1zjy\|1zjy]], [[1zk0\|1zk0]], [[1zk1\|1zk1]], [[1zk2\|1zk2]], [[1zk3\|1zk3]], [[1zk4\|1zk4]]</div></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_(NADP(+)) Alcohol dehydrogenase (NADP(+))], with EC number [~~http~~://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.1.1.2 1.1.1.2] </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_(NADP(+)) Alcohol dehydrogenase (NADP(+))], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.1.1.2 1.1.1.2] </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=1zjz FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1zjz OCA], [~~http~~://pdbe.org/1zjz PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=1zjz RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/1zjz PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=1zjz 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=1zjz FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1zjz OCA], [https://pdbe.org/1zjz PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1zjz RCSB], [https://www.ebi.ac.uk/pdbsum/1zjz PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1zjz ProSAT]</span></td></tr>
	</table>		</table>
	== Evolutionary Conservation ==		== Evolutionary Conservation ==

OCA at 09:38, 5 February 2020

2020-02-05T09:38:11Z

←Older revision		Revision as of 09:38, 5 February 2020
Line 1:		Line 1:

	==Structure of R-specific alcohol dehydrogenase (mutant G37D) from Lactobacillus brevis in complex with phenylethanol and NAD==		==Structure of R-specific alcohol dehydrogenase (mutant G37D) from Lactobacillus brevis in complex with phenylethanol and NAD==
-	<StructureSection load='1zjz' size='340' side='right' caption='[[1zjz]], [[Resolution\|resolution]] 1.10Å' scene=''>	+	<StructureSection load='1zjz' size='340' side='right'caption='[[1zjz]], [[Resolution\|resolution]] 1.10Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[1zjz]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/"bacillus_casei_g"_von_freudenreich_and_thoni_1904 "bacillus casei g" von freudenreich and thoni 1904]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1ZJZ OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1ZJZ FirstGlance]. <br>		<table><tr><td colspan='2'>[[1zjz]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/"bacillus_casei_g"_von_freudenreich_and_thoni_1904 "bacillus casei g" von freudenreich and thoni 1904]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1ZJZ OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1ZJZ FirstGlance]. <br>
Line 28:		Line 28:
	</div>		</div>
	<div class="pdbe-citations 1zjz" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 1zjz" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Alcohol dehydrogenase 3D structures\|Alcohol dehydrogenase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
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	</StructureSection>		</StructureSection>
	[[Category: Bacillus casei g von freudenreich and thoni 1904]]		[[Category: Bacillus casei g von freudenreich and thoni 1904]]
		+	[[Category: Large Structures]]
	[[Category: Hummel, W]]		[[Category: Hummel, W]]
	[[Category: Muller, J]]		[[Category: Muller, J]]

OCA at 09:03, 2 May 2018

2018-05-02T09:03:48Z

←Older revision		Revision as of 09:03, 2 May 2018
Line 1:		Line 1:
		+
	==Structure of R-specific alcohol dehydrogenase (mutant G37D) from Lactobacillus brevis in complex with phenylethanol and NAD==		==Structure of R-specific alcohol dehydrogenase (mutant G37D) from Lactobacillus brevis in complex with phenylethanol and NAD==
	<StructureSection load='1zjz' size='340' side='right' caption='[[1zjz]], [[Resolution\|resolution]] 1.10Å' scene=''>		<StructureSection load='1zjz' size='340' side='right' caption='[[1zjz]], [[Resolution\|resolution]] 1.10Å' scene=''>
Line 6:		Line 7:
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1nxq\|1nxq]], [[1zjy\|1zjy]], [[1zk0\|1zk0]], [[1zk1\|1zk1]], [[1zk2\|1zk2]], [[1zk3\|1zk3]], [[1zk4\|1zk4]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1nxq\|1nxq]], [[1zjy\|1zjy]], [[1zk0\|1zk0]], [[1zk1\|1zk1]], [[1zk2\|1zk2]], [[1zk3\|1zk3]], [[1zk4\|1zk4]]</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_(NADP(+)) Alcohol dehydrogenase (NADP(+))], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.1.1.2 1.1.1.2] </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_(NADP(+)) Alcohol dehydrogenase (NADP(+))], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.1.1.2 1.1.1.2] </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=1zjz FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1zjz OCA], [http://pdbe.org/1zjz PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=1zjz RCSB], [http://www.ebi.ac.uk/pdbsum/1zjz 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=1zjz FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1zjz OCA], [http://pdbe.org/1zjz PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=1zjz RCSB], [http://www.ebi.ac.uk/pdbsum/1zjz PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=1zjz 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/zj/1zjz_consurf.spt"</scriptWhenChecked>	+	<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/zj/1zjz_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 27:		Line 28:
	</div>		</div>
	<div class="pdbe-citations 1zjz" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 1zjz" style="background-color:#fffaf0;"></div>
-
-	==See Also==
-	*[[Alcohol dehydrogenase\|Alcohol dehydrogenase]]
	== References ==		== References ==
	<references/>		<references/>

OCA at 22:57, 7 February 2016

2016-02-07T22:57:59Z

←Older revision		Revision as of 22:57, 7 February 2016
Line 16:		Line 16:
	<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=1zjz ConSurf].
	<div style="clear:both"></div>		<div style="clear:both"></div>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">

OCA at 05:38, 10 September 2015

2015-09-10T05:38:41Z

←Older revision		Revision as of 05:38, 10 September 2015
Line 2:		Line 2:
	<StructureSection load='1zjz' size='340' side='right' caption='[[1zjz]], [[Resolution\|resolution]] 1.10Å' scene=''>		<StructureSection load='1zjz' size='340' side='right' caption='[[1zjz]], [[Resolution\|resolution]] 1.10Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[1zjz]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/~~Lactobacillus_brevis Lactobacillus brevis~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1ZJZ OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1ZJZ FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[1zjz]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/"bacillus_casei_g"_von_freudenreich_and_thoni_1904 "bacillus casei g" von freudenreich and thoni 1904]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1ZJZ OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1ZJZ FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=NAD:NICOTINAMIDE-ADENINE-DINUCLEOTIDE'>NAD</scene>, <scene name='pdbligand=SS2:(1R)-1-PHENYLETHANOL'>SS2</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=NAD:NICOTINAMIDE-ADENINE-DINUCLEOTIDE'>NAD</scene>, <scene name='pdbligand=SS2:(1R)-1-PHENYLETHANOL'>SS2</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1nxq\|1nxq]], [[1zjy\|1zjy]], [[1zk0\|1zk0]], [[1zk1\|1zk1]], [[1zk2\|1zk2]], [[1zk3\|1zk3]], [[1zk4\|1zk4]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1nxq\|1nxq]], [[1zjy\|1zjy]], [[1zk0\|1zk0]], [[1zk1\|1zk1]], [[1zk2\|1zk2]], [[1zk3\|1zk3]], [[1zk4\|1zk4]]</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_(NADP(+)) Alcohol dehydrogenase (NADP(+))], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.1.1.2 1.1.1.2] </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_(NADP(+)) Alcohol dehydrogenase (NADP(+))], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.1.1.2 1.1.1.2] </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=1zjz FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1zjz OCA], [http://www.rcsb.org/pdb/explore.do?structureId=1zjz RCSB], [http://www.ebi.ac.uk/pdbsum/1zjz 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=1zjz FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1zjz OCA], [http://pdbe.org/1zjz PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=1zjz RCSB], [http://www.ebi.ac.uk/pdbsum/1zjz PDBsum]</span></td></tr>
	</table>		</table>
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
Line 26:		Line 26:
	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 1zjz" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
Line 33:		Line 34:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Lactobacillus brevis~~]]	+	[[Category: Bacillus casei g von freudenreich and thoni 1904]]
	[[Category: Hummel, W]]		[[Category: Hummel, W]]
	[[Category: Muller, J]]		[[Category: Muller, J]]

OCA at 09:20, 8 January 2015

2015-01-08T09:20:37Z

←Older revision		Revision as of 09:20, 8 January 2015
Line 3:		Line 3:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[1zjz]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Lactobacillus_brevis Lactobacillus brevis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1ZJZ OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1ZJZ FirstGlance]. <br>		<table><tr><td colspan='2'>[[1zjz]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Lactobacillus_brevis Lactobacillus brevis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1ZJZ OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1ZJZ FirstGlance]. <br>
-	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=NAD:NICOTINAMIDE-ADENINE-DINUCLEOTIDE'>NAD</scene>, <scene name='pdbligand=SS2:(1R)-1-PHENYLETHANOL'>SS2</scene><br>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=NAD:NICOTINAMIDE-ADENINE-DINUCLEOTIDE'>NAD</scene>, <scene name='pdbligand=SS2:(1R)-1-PHENYLETHANOL'>SS2</scene></td></tr>
-	<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1nxq\|1nxq]], [[1zjy\|1zjy]], [[1zk0\|1zk0]], [[1zk1\|1zk1]], [[1zk2\|1zk2]], [[1zk3\|1zk3]], [[1zk4\|1zk4]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1nxq\|1nxq]], [[1zjy\|1zjy]], [[1zk0\|1zk0]], [[1zk1\|1zk1]], [[1zk2\|1zk2]], [[1zk3\|1zk3]], [[1zk4\|1zk4]]</td></tr>
-	<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Alcohol_dehydrogenase_(NADP(+)) Alcohol dehydrogenase (NADP(+))], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.1.1.2 1.1.1.2] </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_(NADP(+)) Alcohol dehydrogenase (NADP(+))], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.1.1.2 1.1.1.2] </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=1zjz FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1zjz OCA], [http://www.rcsb.org/pdb/explore.do?structureId=1zjz RCSB], [http://www.ebi.ac.uk/pdbsum/1zjz 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=1zjz FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1zjz OCA], [http://www.rcsb.org/pdb/explore.do?structureId=1zjz RCSB], [http://www.ebi.ac.uk/pdbsum/1zjz 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:
	</StructureSection>		</StructureSection>
	[[Category: Lactobacillus brevis]]		[[Category: Lactobacillus brevis]]
-	[[Category: Hummel, W.]]	+	[[Category: Hummel, W]]
-	[[Category: Muller, J.]]	+	[[Category: Muller, J]]
-	[[Category: Niefind, K.]]	+	[[Category: Niefind, K]]
-	[[Category: Riebel, B.]]	+	[[Category: Riebel, B]]
-	[[Category: Schlieben, N H.]]	+	[[Category: Schlieben, N H]]
-	[[Category: Schomburg, D.]]	+	[[Category: Schomburg, D]]
	[[Category: Magnesium dependence]]		[[Category: Magnesium dependence]]
	[[Category: Oxidoreductase]]		[[Category: Oxidoreductase]]
	[[Category: R-specific alcohol dehydrogenase]]		[[Category: R-specific alcohol dehydrogenase]]
	[[Category: Short chain reductases/dehydrogenase]]		[[Category: Short chain reductases/dehydrogenase]]

OCA at 03:32, 29 September 2014

2014-09-29T03:32:17Z

←Older revision		Revision as of 03:32, 29 September 2014
Line 1:		Line 1:
-	[[~~Image:~~1zjz.~~png~~\|~~left~~\|200px]]	+	==Structure of R-specific alcohol dehydrogenase (mutant G37D) from Lactobacillus brevis in complex with phenylethanol and NAD==
		+	<StructureSection load='1zjz' size='340' side='right' caption='[[1zjz]], [[Resolution\|resolution]] 1.10Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[1zjz]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Lactobacillus_brevis Lactobacillus brevis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1ZJZ OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1ZJZ FirstGlance]. <br>
		+	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=NAD:NICOTINAMIDE-ADENINE-DINUCLEOTIDE'>NAD</scene>, <scene name='pdbligand=SS2:(1R)-1-PHENYLETHANOL'>SS2</scene><br>
		+	<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1nxq\|1nxq]], [[1zjy\|1zjy]], [[1zk0\|1zk0]], [[1zk1\|1zk1]], [[1zk2\|1zk2]], [[1zk3\|1zk3]], [[1zk4\|1zk4]]</td></tr>
		+	<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Alcohol_dehydrogenase_(NADP(+)) Alcohol dehydrogenase (NADP(+))], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.1.1.2 1.1.1.2] </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=1zjz FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1zjz OCA], [http://www.rcsb.org/pdb/explore.do?structureId=1zjz RCSB], [http://www.ebi.ac.uk/pdbsum/1zjz 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/zj/1zjz_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 ==
		+	The R-specific alcohol dehydrogenase (RADH) from Lactobacillus brevis is an NADP-dependent, homotetrameric member of the extended enzyme family of short-chain dehydrogenases/reductases (SDR) with a high biotechnological application potential. Its preferred in vitro substrates are prochiral ketones like acetophenone with almost invariably a small methyl group as one substituent and a bulky (often aromatic) moiety as the other. On the basis of an atomic-resolution structure of wild-type RADH in complex with NADP and acetophenone, we designed the mutant RADH-G37D, which should possess an improved cosubstrate specificity profile for biotechnological purposes, namely, a preference for NAD rather than NADP. Comparative kinetic measurements with wild-type and mutant RADH showed that this aim was achieved. To characterize the successful mutant structurally, we determined several, partly atomic-resolution, crystal structures of RADH-G37D both as an apo-enzyme and as ternary complex with NAD or NADH and phenylethanol. The increased affinity of RADH-G37D for NAD(H) depends on an interaction between the adenosine ribose moiety of NAD and the inserted aspartate side-chain. A structural comparison between RADH-G37D as apo-enzyme and as a part of a ternary complex revealed significant rearrangements of Ser141, Glu144, Tyr189 and Met205 in the vicinity of the active site. This plasticity contributes to generate a small hydrophobic pocket for the methyl group typical for RADH substrates, and a hydrophobic coat for the second, more variable and often aromatic, substituent. Around Ser141 we even found alternative conformations in the backbone. A structural adaptability in this region, which we describe here for the first time for an SDR enzyme, is probably functionally important, because it concerns Ser142, a member of the highly conserved catalytic tetrad typical for SDR enzymes. Moreover, it affects an extended proton relay system that has been identified recently as a critical element for the catalytic mechanism in SDR enzymes.

-	~~{{STRUCTURE_1zjz\| PDB=1zjz \| SCENE= }}~~	+	Atomic resolution structures of R-specific alcohol dehydrogenase from Lactobacillus brevis provide the structural bases of its substrate and cosubstrate specificity.,Schlieben NH, Niefind K, Muller J, Riebel B, Hummel W, Schomburg D J Mol Biol. 2005 Jun 17;349(4):801-13. PMID:15896805<ref>PMID:15896805</ref>

-	~~===Structure~~ of ~~R-specific alcohol dehydrogenase (mutant G37D) from Lactobacillus brevis in complex with phenylethanol and NAD===~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-		+	</div>
-	~~{{ABSTRACT_PUBMED_15896805}}~~	+
-		+
-	~~==About this Structure==~~	+
-	~~[[1zjz]] is a 1 chain structure with sequence from [http://en~~.~~wikipedia~~.~~org/wiki/Lactobacillus_brevis Lactobacillus brevis]~~. ~~Full crystallographic information is available from [http:~~/~~/oca.weizmann.ac.il/oca-bin/ocashort?id=1ZJZ OCA].~~	+

	==See Also==		==See Also==
	*[[Alcohol dehydrogenase\|Alcohol dehydrogenase]]		*[[Alcohol dehydrogenase\|Alcohol dehydrogenase]]
-		+	== References ==
-	==~~Reference~~==	+	<references/>
-	<~~ref group="xtra">PMID:015896805<~~/~~ref~~><~~ref group="xtra">PMID:012628239</ref><references group="xtra"~~/>	+	__TOC__
		+	</StructureSection>
	[[Category: Lactobacillus brevis]]		[[Category: Lactobacillus brevis]]
	[[Category: Hummel, W.]]		[[Category: Hummel, W.]]

OCA at 08:05, 20 October 2012

2012-10-20T08:05:31Z

←Older revision		Revision as of 08:05, 20 October 2012
Line 8:		Line 8:

	==About this Structure==		==About this Structure==
-	[[1zjz]] is a 1 chain structure ~~of [[Alcohol dehydrogenase]]~~ with sequence from [http://en.wikipedia.org/wiki/Lactobacillus_brevis Lactobacillus brevis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1ZJZ OCA].	+	[[1zjz]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Lactobacillus_brevis Lactobacillus brevis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1ZJZ OCA].

	==See Also==		==See Also==
Line 14:		Line 14:

	==Reference==		==Reference==
-	<ref group="xtra">PMID:015896805</ref><ref group="xtra">PMID:012628239~~</ref><ref group="xtra">PMID:011092950~~</ref><references group="xtra"/>	+	<ref group="xtra">PMID:015896805</ref><ref group="xtra">PMID:012628239</ref><references group="xtra"/>
	[[Category: Lactobacillus brevis]]		[[Category: Lactobacillus brevis]]
	[[Category: Hummel, W.]]		[[Category: Hummel, W.]]

OCA at 18:24, 25 July 2012

2012-07-25T18:24:25Z

←Older revision		Revision as of 18:24, 25 July 2012
Line 1:		Line 1:
	[[Image:1zjz.png\|left\|200px]]		[[Image:1zjz.png\|left\|200px]]

-	<!--
-	The line below this paragraph, containing "STRUCTURE_1zjz", 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_1zjz\| PDB=1zjz \| SCENE= }}		{{STRUCTURE_1zjz\| PDB=1zjz \| SCENE= }}

	===Structure of R-specific alcohol dehydrogenase (mutant G37D) from Lactobacillus brevis in complex with phenylethanol and NAD===		===Structure of R-specific alcohol dehydrogenase (mutant G37D) from Lactobacillus brevis in complex with phenylethanol and NAD===

-
-	<!--
-	The line below this paragraph, {{ABSTRACT_PUBMED_15896805}}, adds the Publication Abstract to the page
-	(as it appears on PubMed at http://www.pubmed.gov), where 15896805 is the PubMed ID number.
-	-->
	{{ABSTRACT_PUBMED_15896805}}		{{ABSTRACT_PUBMED_15896805}}

	==About this Structure==		==About this Structure==
-	[[1zjz]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Lactobacillus_brevis Lactobacillus brevis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1ZJZ OCA].	+	[[1zjz]] is a 1 chain structure of [[Alcohol dehydrogenase]] with sequence from [http://en.wikipedia.org/wiki/Lactobacillus_brevis Lactobacillus brevis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1ZJZ OCA].
		+
		+	==See Also==
		+	*[[Alcohol dehydrogenase\|Alcohol dehydrogenase]]

	==Reference==		==Reference==
-	<ref group="xtra">PMID:~~15896805~~</ref><ref group="xtra">PMID:~~12628239~~</ref><ref group="xtra">PMID:~~11092950~~</ref><references group="xtra"/>	+	<ref group="xtra">PMID:015896805</ref><ref group="xtra">PMID:012628239</ref><ref group="xtra">PMID:011092950</ref><references group="xtra"/>
	[[Category: Lactobacillus brevis]]		[[Category: Lactobacillus brevis]]
	[[Category: Hummel, W.]]		[[Category: Hummel, W.]]