3szb - Revision history

OCA at 13:12, 14 March 2024

OCA — Thu, 14 Mar 2024 13:12:52 GMT

←Older revision		Revision as of 13:12, 14 March 2024
Line 3:		Line 3:
	<StructureSection load='3szb' size='340' side='right'caption='[[3szb]], [[Resolution\|resolution]] 1.51Å' scene=''>		<StructureSection load='3szb' size='340' side='right'caption='[[3szb]], [[Resolution\|resolution]] 1.51Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3szb]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/~~Human Human~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3SZB OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3SZB FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3szb]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3SZB OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3SZB FirstGlance]. <br>
-	</td></tr><tr id='~~ligand~~'><td class="sblockLbl"><b>[[~~Ligand~~\|~~Ligands~~:]]</b></td><td class="sblockDat" id="~~ligandDat~~">~~<scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>~~, ~~<scene name='pdbligand=I1E:~~1~~-PHENYLPROPAN-1-ONE'>I1E</scene>, <scene name='pdbligand=K:POTASSIUM+ION'>K</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]] 1.51Å</td></tr>
-	<tr id='~~related~~'><td class="sblockLbl"><b>[[~~Related_structure~~\|~~Related~~:]]</b></td><td class="sblockDat"><~~div style~~='~~overflow~~: ~~auto; max-height: 3em;~~'>~~[[3sz9\|3sz9]], [[3sza\|3sza]]~~</~~div~~><~~/td></tr>~~	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=I1E:1-PHENYLPROPAN-1-ONE'>I1E</scene>, <scene name='pdbligand=K:POTASSIUM+ION'>K</scene></td></tr>
-	~~<tr id~~='~~gene'><td class~~=~~"sblockLbl"><b>[[Gene\|Gene~~:~~]]</b~~></~~td><td class="sblockDat"~~>~~ALDH3A1~~, ~~ALDH3 ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])~~<~~/td></tr>~~	+
-	~~<tr id~~='~~activity'><td class~~=~~"sblockLbl"><b>Activity~~:~~</b></td><td class="sblockDat"><span class='plainlinks~~'>~~[https://en.wikipedia.org/wiki/Aldehyde_dehydrogenase_(NAD(P)(+)) Aldehyde dehydrogenase (NAD(P)(+))], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.2.1.5 1.2.1.5]~~ </~~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=3szb FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3szb OCA], [https://pdbe.org/3szb PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3szb RCSB], [https://www.ebi.ac.uk/pdbsum/3szb PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3szb 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=3szb FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3szb OCA], [https://pdbe.org/3szb PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3szb RCSB], [https://www.ebi.ac.uk/pdbsum/3szb PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3szb ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[[https://www.uniprot.org/uniprot/AL3A1_HUMAN AL3A1_HUMAN]] ALDHs play a major role in the detoxification of alcohol-derived acetaldehyde. They are involved in the metabolism of corticosteroids, biogenic amines, neurotransmitters, and lipid peroxidation. This protein preferentially oxidizes aromatic aldehyde substrates. It may play a role in the oxidation of toxic aldehydes.	+	[https://www.uniprot.org/uniprot/AL3A1_HUMAN AL3A1_HUMAN] ALDHs play a major role in the detoxification of alcohol-derived acetaldehyde. They are involved in the metabolism of corticosteroids, biogenic amines, neurotransmitters, and lipid peroxidation. This protein preferentially oxidizes aromatic aldehyde substrates. It may play a role in the oxidation of toxic aldehydes.
-	~~<div style="background-color:#fffaf0;">~~	+
-	~~== Publication Abstract from PubMed ==~~	+
-	Human aldehyde dehydrogenases (ALDH) comprise a family of seventeen homologous enzymes that metabolize different biogenic and exogenic aldehydes. To date, there are relatively few general ALDH inhibitors that can be used to probe the contribution of this class of enzymes to particular metabolic pathways. Here, we report the discovery of a general class of ALDH inhibitors with a common mechanism of action. The combined data from kinetic studies, mass spectrometric measurements and crystallographic analyses demonstrate that these novel inhibitors undergo an enzyme-mediated beta-elimination reaction generating a vinyl-ketone intermediate that covalently modifies the active site cysteine residue present in these enzymes. The studies described here can provide the basis for rational approach to design ALDH isoenzyme-specific inhibitors as research tools and perhaps as drugs, to address diseases, such as cancer, where increased ALDH activity is associated with cellular phenotype.	+
-		+
-	Discovery of a novel class of covalent inhibitor for aldehyde dehydrogenases.,Khanna M, Chen CH, Kimble-Hill A, Parajuli B, Perez-Miller S, Baskaran S, Kim J, Dria K, Vasiliou V, Mochly-Rosen D, Hurley TD J Biol Chem. 2011 Oct 21. PMID:22021038<ref>PMID:22021038</ref>	+
-		+
-	~~From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>~~	+
-	~~</div>~~	+
-	~~<div class="pdbe-citations 3szb" style="background-color:#fffaf0;"></div>~~	+

	==See Also==		==See Also==
	*[[Aldehyde dehydrogenase 3D structures\|Aldehyde dehydrogenase 3D structures]]		*[[Aldehyde dehydrogenase 3D structures\|Aldehyde dehydrogenase 3D structures]]
-	== References ==
-	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Human~~]]	+	[[Category: Homo sapiens]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Hurley~~, T D~~]]	+	[[Category: Hurley TD]]
-	[[Category: Khanna, M]]	+	[[Category: Khanna M]]
-	~~[[Category: Aldh]]~~	+
-	~~[[Category: Aldi-1]]~~	+
-	~~[[Category: Covalent adduct]]~~	+
-	~~[[Category: Inhibitor]]~~	+
-	~~[[Category: Oxidoreductase-oxidoreductase inhibitor complex]]~~	+
-	~~[[Category: Rossmann fold~~]]	+

OCA at 08:16, 29 June 2022

OCA — Wed, 29 Jun 2022 08:16:58 GMT

←Older revision		Revision as of 08:16, 29 June 2022
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	==Crystal structure of human ALDH3A1 modified with the beta-elimination product of Aldi-1; 1-phenyl- 2-propen-1-one==		==Crystal structure of human ALDH3A1 modified with the beta-elimination product of Aldi-1; 1-phenyl- 2-propen-1-one==
-	<StructureSection load='3szb' size='340' side='right' caption='[[3szb]], [[Resolution\|resolution]] 1.51Å' scene=''>	+	<StructureSection load='3szb' size='340' side='right'caption='[[3szb]], [[Resolution\|resolution]] 1.51Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3szb]] is a 2 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3SZB OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=3SZB FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3szb]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3SZB OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3SZB FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=I1E:1-PHENYLPROPAN-1-ONE'>I1E</scene>, <scene name='pdbligand=K:POTASSIUM+ION'>K</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=I1E:1-PHENYLPROPAN-1-ONE'>I1E</scene>, <scene name='pdbligand=K:POTASSIUM+ION'>K</scene></td></tr>
-	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3sz9\|3sz9]], [[3sza\|3sza]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[3sz9\|3sz9]], [[3sza\|3sza]]</div></td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">ALDH3A1, ALDH3 ([~~http~~://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</td></tr>	+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">ALDH3A1, ALDH3 ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</td></tr>
-	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[~~http~~://en.wikipedia.org/wiki/Aldehyde_dehydrogenase_(NAD(P)(+)) Aldehyde dehydrogenase (NAD(P)(+))], with EC number [~~http~~://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.2.1.5 1.2.1.5] </span></td></tr>	+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/Aldehyde_dehydrogenase_(NAD(P)(+)) Aldehyde dehydrogenase (NAD(P)(+))], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.2.1.5 1.2.1.5] </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=3szb FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3szb OCA], [~~http~~://pdbe.org/3szb PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=3szb RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/3szb PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=3szb 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=3szb FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3szb OCA], [https://pdbe.org/3szb PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3szb RCSB], [https://www.ebi.ac.uk/pdbsum/3szb PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3szb ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[[~~http~~://www.uniprot.org/uniprot/AL3A1_HUMAN AL3A1_HUMAN]] ALDHs play a major role in the detoxification of alcohol-derived acetaldehyde. They are involved in the metabolism of corticosteroids, biogenic amines, neurotransmitters, and lipid peroxidation. This protein preferentially oxidizes aromatic aldehyde substrates. It may play a role in the oxidation of toxic aldehydes.	+	[[https://www.uniprot.org/uniprot/AL3A1_HUMAN AL3A1_HUMAN]] ALDHs play a major role in the detoxification of alcohol-derived acetaldehyde. They are involved in the metabolism of corticosteroids, biogenic amines, neurotransmitters, and lipid peroxidation. This protein preferentially oxidizes aromatic aldehyde substrates. It may play a role in the oxidation of toxic aldehydes.
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
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	</div>		</div>
	<div class="pdbe-citations 3szb" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 3szb" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Aldehyde dehydrogenase 3D structures\|Aldehyde dehydrogenase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
Line 26:		Line 29:
	</StructureSection>		</StructureSection>
	[[Category: Human]]		[[Category: Human]]
		+	[[Category: Large Structures]]
	[[Category: Hurley, T D]]		[[Category: Hurley, T D]]
	[[Category: Khanna, M]]		[[Category: Khanna, M]]

OCA at 09:45, 8 November 2017

OCA — Wed, 08 Nov 2017 09:45:45 GMT

←Older revision		Revision as of 09:45, 8 November 2017
Line 21:		Line 21:
	</div>		</div>
	<div class="pdbe-citations 3szb" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 3szb" style="background-color:#fffaf0;"></div>
-
-	==See Also==
-	*[[Aldehyde dehydrogenase\|Aldehyde dehydrogenase]]
	== References ==		== References ==
	<references/>		<references/>

OCA at 20:26, 4 August 2016

OCA — Thu, 04 Aug 2016 20:26:05 GMT

←Older revision		Revision as of 20:26, 4 August 2016
Line 1:		Line 1:
		+
	==Crystal structure of human ALDH3A1 modified with the beta-elimination product of Aldi-1; 1-phenyl- 2-propen-1-one==		==Crystal structure of human ALDH3A1 modified with the beta-elimination product of Aldi-1; 1-phenyl- 2-propen-1-one==
	<StructureSection load='3szb' size='340' side='right' caption='[[3szb]], [[Resolution\|resolution]] 1.51Å' scene=''>		<StructureSection load='3szb' size='340' side='right' caption='[[3szb]], [[Resolution\|resolution]] 1.51Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3szb]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/~~Homo_sapiens Homo sapiens~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3SZB OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3SZB FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3szb]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3SZB OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3SZB FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=I1E:1-PHENYLPROPAN-1-ONE'>I1E</scene>, <scene name='pdbligand=K:POTASSIUM+ION'>K</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=I1E:1-PHENYLPROPAN-1-ONE'>I1E</scene>, <scene name='pdbligand=K:POTASSIUM+ION'>K</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3sz9\|3sz9]], [[3sza\|3sza]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3sz9\|3sz9]], [[3sza\|3sza]]</td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">ALDH3A1, ALDH3 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 ~~Homo sapiens~~])</td></tr>	+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">ALDH3A1, ALDH3 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Aldehyde_dehydrogenase_(NAD(P)(+)) Aldehyde dehydrogenase (NAD(P)(+))], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.2.1.5 1.2.1.5] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Aldehyde_dehydrogenase_(NAD(P)(+)) Aldehyde dehydrogenase (NAD(P)(+))], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.2.1.5 1.2.1.5] </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=3szb FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3szb OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3szb RCSB], [http://www.ebi.ac.uk/pdbsum/3szb 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=3szb FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3szb OCA], [http://pdbe.org/3szb PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3szb RCSB], [http://www.ebi.ac.uk/pdbsum/3szb PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=3szb ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 19:		Line 20:
	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 3szb" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
Line 26:		Line 28:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Homo sapiens~~]]	+	[[Category: Human]]
	[[Category: Hurley, T D]]		[[Category: Hurley, T D]]
	[[Category: Khanna, M]]		[[Category: Khanna, M]]

OCA at 19:18, 24 December 2014

OCA — Wed, 24 Dec 2014 19:18:57 GMT

←Older revision		Revision as of 19:18, 24 December 2014
Line 9:		Line 9:
	<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=3szb FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3szb OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3szb RCSB], [http://www.ebi.ac.uk/pdbsum/3szb 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=3szb FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3szb OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3szb RCSB], [http://www.ebi.ac.uk/pdbsum/3szb PDBsum]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/AL3A1_HUMAN AL3A1_HUMAN]] ALDHs play a major role in the detoxification of alcohol-derived acetaldehyde. They are involved in the metabolism of corticosteroids, biogenic amines, neurotransmitters, and lipid peroxidation. This protein preferentially oxidizes aromatic aldehyde substrates. It may play a role in the oxidation of toxic aldehydes.
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==

OCA at 12:58, 9 December 2014

OCA — Tue, 09 Dec 2014 12:58:57 GMT

←Older revision		Revision as of 12:58, 9 December 2014
Line 1:		Line 1:
-	[[~~Image:~~3szb.~~png~~\|~~left~~\|~~200px~~]]	+	==Crystal structure of human ALDH3A1 modified with the beta-elimination product of Aldi-1; 1-phenyl- 2-propen-1-one==
		+	<StructureSection load='3szb' size='340' side='right' caption='[[3szb]], [[Resolution\|resolution]] 1.51Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[3szb]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3SZB OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3SZB FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=I1E:1-PHENYLPROPAN-1-ONE'>I1E</scene>, <scene name='pdbligand=K:POTASSIUM+ION'>K</scene></td></tr>
		+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3sz9\|3sz9]], [[3sza\|3sza]]</td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">ALDH3A1, ALDH3 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens])</td></tr>
		+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Aldehyde_dehydrogenase_(NAD(P)(+)) Aldehyde dehydrogenase (NAD(P)(+))], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.2.1.5 1.2.1.5] </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=3szb FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3szb OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3szb RCSB], [http://www.ebi.ac.uk/pdbsum/3szb PDBsum]</span></td></tr>
		+	</table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Human aldehyde dehydrogenases (ALDH) comprise a family of seventeen homologous enzymes that metabolize different biogenic and exogenic aldehydes. To date, there are relatively few general ALDH inhibitors that can be used to probe the contribution of this class of enzymes to particular metabolic pathways. Here, we report the discovery of a general class of ALDH inhibitors with a common mechanism of action. The combined data from kinetic studies, mass spectrometric measurements and crystallographic analyses demonstrate that these novel inhibitors undergo an enzyme-mediated beta-elimination reaction generating a vinyl-ketone intermediate that covalently modifies the active site cysteine residue present in these enzymes. The studies described here can provide the basis for rational approach to design ALDH isoenzyme-specific inhibitors as research tools and perhaps as drugs, to address diseases, such as cancer, where increased ALDH activity is associated with cellular phenotype.

-	~~{{STRUCTURE_3szb\| PDB=3szb \| SCENE= }}~~	+	Discovery of a novel class of covalent inhibitor for aldehyde dehydrogenases.,Khanna M, Chen CH, Kimble-Hill A, Parajuli B, Perez-Miller S, Baskaran S, Kim J, Dria K, Vasiliou V, Mochly-Rosen D, Hurley TD J Biol Chem. 2011 Oct 21. PMID:22021038<ref>PMID:22021038</ref>

-	~~===Crystal structure~~ of ~~human ALDH3A1 modified with~~ the ~~beta-elimination product of Aldi-1; 1-phenyl- 2-propen-1-one===~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-		+	</div>
-	~~{{ABSTRACT_PUBMED_22021038}}~~	+
-		+
-	~~==About this Structure==~~	+
-	~~[[3szb]] is a 2 chain structure with sequence from [http://en~~.~~wikipedia~~.~~org/wiki/Homo_sapiens Homo sapiens]~~. ~~Full crystallographic information is available from [http:~~/~~/oca.weizmann.ac.il/oca-bin/ocashort?id=3SZB OCA].~~	+

	==See Also==		==See Also==
	*[[Aldehyde dehydrogenase\|Aldehyde dehydrogenase]]		*[[Aldehyde dehydrogenase\|Aldehyde dehydrogenase]]
-		+	== References ==
-	==~~Reference~~==	+	<references/>
-	<~~ref group="xtra">PMID:022021038<~~/~~ref~~><~~references group="xtra"~~/>	+	__TOC__
		+	</StructureSection>
	[[Category: Homo sapiens]]		[[Category: Homo sapiens]]
-	[[Category: Hurley, T D.]]	+	[[Category: Hurley, T D]]
-	[[Category: Khanna, M.]]	+	[[Category: Khanna, M]]
	[[Category: Aldh]]		[[Category: Aldh]]
	[[Category: Aldi-1]]		[[Category: Aldi-1]]

OCA at 08:20, 20 October 2012

OCA — Sat, 20 Oct 2012 08:20:00 GMT

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

	==About this Structure==		==About this Structure==
-	[[3szb]] is a 2 chain structure ~~of [[Aldehyde dehydrogenase]]~~ with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3SZB OCA].	+	[[3szb]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3SZB OCA].

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

OCA at 19:11, 25 July 2012

OCA — Wed, 25 Jul 2012 19:11:59 GMT

←Older revision		Revision as of 19:11, 25 July 2012
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	[[Image:3szb.png\|left\|200px]]		[[Image:3szb.png\|left\|200px]]

-	<!--
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	{{STRUCTURE_3szb\| PDB=3szb \| SCENE= }}		{{STRUCTURE_3szb\| PDB=3szb \| SCENE= }}

	===Crystal structure of human ALDH3A1 modified with the beta-elimination product of Aldi-1; 1-phenyl- 2-propen-1-one===		===Crystal structure of human ALDH3A1 modified with the beta-elimination product of Aldi-1; 1-phenyl- 2-propen-1-one===

-
-	<!--
-	The line below this paragraph, {{ABSTRACT_PUBMED_22021038}}, adds the Publication Abstract to the page
-	(as it appears on PubMed at http://www.pubmed.gov), where 22021038 is the PubMed ID number.
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	{{ABSTRACT_PUBMED_22021038}}		{{ABSTRACT_PUBMED_22021038}}

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	==See Also==		==See Also==
-	*[[Aldehyde dehydrogenase]]	+	*[[Aldehyde dehydrogenase\|Aldehyde dehydrogenase]]

	==Reference==		==Reference==

OCA at 06:14, 28 December 2011

OCA — Wed, 28 Dec 2011 06:14:37 GMT

←Older revision		Revision as of 06:14, 28 December 2011
Line 1:		Line 1:
-	[[Image:3szb.~~jpg~~\|left\|200px]]	+	[[Image:3szb.png\|left\|200px]]

	<!--		<!--
Line 19:		Line 19:

	==About this Structure==		==About this Structure==
-	[[3szb]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3SZB OCA].	+	[[3szb]] is a 2 chain structure of [[Aldehyde dehydrogenase]] with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3SZB OCA].
		+
		+	==See Also==
		+	*[[Aldehyde dehydrogenase]]

	==Reference==		==Reference==

OCA at 08:23, 2 November 2011

OCA — Wed, 02 Nov 2011 08:23:09 GMT

←Older revision		Revision as of 08:23, 2 November 2011
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-	~~'''Unreleased structure'''~~	+	[[Image:3szb.jpg\|left\|200px]]

-	The ~~entry 3szb~~ is ~~ON HOLD~~ ~~until Paper Publication~~	+	<!--
		+	The line below this paragraph, containing "STRUCTURE_3szb", 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_3szb\| PDB=3szb \| SCENE= }}

-	~~Authors: Khanna, M., Hurley, T.D.~~	+	===Crystal structure of human ALDH3A1 modified with the beta-elimination product of Aldi-1; 1-phenyl- 2-propen-1-one===

-	~~Description~~: ~~Crystal structure of human ALDH3A1 modified with~~ the ~~beta~~-~~elimination product of Aldi-1; 1-phenyl~~-2-~~propen~~-1-~~one~~	+
		+	<!--
		+	The line below this paragraph, {{ABSTRACT_PUBMED_22021038}}, adds the Publication Abstract to the page
		+	(as it appears on PubMed at http://www.pubmed.gov), where 22021038 is the PubMed ID number.
		+	-->
		+	{{ABSTRACT_PUBMED_22021038}}
		+
		+	==About this Structure==
		+	[[3szb]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3SZB OCA].
		+
		+	==Reference==
		+	<ref group="xtra">PMID:022021038</ref><references group="xtra"/>
		+	[[Category: Homo sapiens]]
		+	[[Category: Hurley, T D.]]
		+	[[Category: Khanna, M.]]
		+	[[Category: Aldh]]
		+	[[Category: Aldi-1]]
		+	[[Category: Covalent adduct]]
		+	[[Category: Inhibitor]]
		+	[[Category: Oxidoreductase-oxidoreductase inhibitor complex]]
		+	[[Category: Rossmann fold]]