1lwi - Revision history

OCA at 07:36, 14 February 2024

OCA — Wed, 14 Feb 2024 07:36:58 GMT

←Older revision		Revision as of 07:36, 14 February 2024
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	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[1lwi]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Rattus_norvegicus Rattus norvegicus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1LWI OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1LWI FirstGlance]. <br>		<table><tr><td colspan='2'>[[1lwi]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Rattus_norvegicus Rattus norvegicus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1LWI OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1LWI FirstGlance]. <br>
-	</td></tr><tr id='~~ligand~~'><td class="sblockLbl"><b>[[~~Ligand~~\|~~Ligands~~:]]</b></td><td class="sblockDat" id="~~ligandDat~~">~~<scene name='pdbligand=NAP:NADP+NICOTINAMIDE~~-~~ADENINE-DINUCLEOTIDE+PHOSPHATE'>NAP</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]] 2.7Å</td></tr>
-	<tr id='~~activity~~'><td class="sblockLbl"><b>~~Activity~~:</b></td><td class="sblockDat"><~~span class~~='~~plainlinks'>[https~~:~~//en.wikipedia.org/wiki/3~~-~~alpha~~-~~hydroxysteroid_dehydrogenase_(Re-specific) 3-alpha-hydroxysteroid dehydrogenase (Re-specific)], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.1.1.213 1.1.1.213]~~ </~~span~~></td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=NAP:NADP+NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NAP</scene></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=1lwi FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1lwi OCA], [https://pdbe.org/1lwi PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1lwi RCSB], [https://www.ebi.ac.uk/pdbsum/1lwi PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1lwi 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=1lwi FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1lwi OCA], [https://pdbe.org/1lwi PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1lwi RCSB], [https://www.ebi.ac.uk/pdbsum/1lwi PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1lwi ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[[https://www.uniprot.org/uniprot/DIDH_RAT DIDH_RAT]] Besides being a 3-alpha-hydroxysteroid dehydrogenase, the enzyme can accomplish diverse functions: as quinone reductase, as an aromatic alcohol dehydrogenase, as dihydrodiol dehydrogenase, and as 9-, 11-, and 15-hydroxyprostaglandin dehydrogenase.	+	[https://www.uniprot.org/uniprot/DIDH_RAT DIDH_RAT] Besides being a 3-alpha-hydroxysteroid dehydrogenase, the enzyme can accomplish diverse functions: as quinone reductase, as an aromatic alcohol dehydrogenase, as dihydrodiol dehydrogenase, and as 9-, 11-, and 15-hydroxyprostaglandin dehydrogenase.
	== 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=1lwi 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=1lwi ConSurf].
	<div style="clear:both"></div>		<div style="clear:both"></div>
-	<div style="background-color:#fffaf0;">
-	== Publication Abstract from PubMed ==
-	Rat liver 3 alpha-hydroxysteroid/dihydrodiol dehydrogenase (3 alpha-HSD) inactivates circulating steroid hormones and is involved in polycyclic aromatic hydrocarbon (PAH) carcinogenesis. It is the only HSD of known structure in the aldo-keto reductase (AKR) superfamily and may provide a paradigm for other mammalian HSDs in this family. The structure of the 3 alpha-HSD.NADP+ binary complex has been determined at 2.7 A resolution and refined to a crystallographic R-factor of 23.4% with good geometry. The model is similar to other binary complexes in the AKR superfamily in that NADP+ binds at the C-terminal end of an alpha/beta barrel. However, it is unique in that NADP+ is bound in two alternate conformations, probably because of the lack of a salt-linked "safety belt" over the pyrophosphate bridge. The structure supports a previously proposed catalytic mechanism for carbonyl reduction in which Tyr 55 is the general acid, and its effective pKa is lowered by the adjacent Lys 84. We present evidence that the structurally distinct short-chain dehydrogenase/reductase (SDR) superfamily may have convergently evolved a similar catalytic mechanism. Insight into substrate binding is offered by a crystal packing contact in which a neighboring molecule inserts a tryptophan residue (Trp 227) into an apolar cleft in 3 alpha-HSD. This cleft is proximal to the bound NADP+ cofactor and contains a surface of apolar residues (Leu 54, Trp 86, Leu 122, Phe 128, Phe 129, Leu 137, Phe 139), making it a likely candidate for the substrate-binding site. Thus, in forming this crystal contact, Trp 227 may mimic a portion of a bound steroid. In addition, we propose that a water molecule in the active site indicates the position of the hydroxyl oxygen in a 3 alpha-hydroxysteroid substrate. Knowledge of the position of this water molecule, combined with the stereochemistry of hydride transfer, suggests that the alpha face of a bound steroid will be oriented toward the side of the apolar cleft containing Trp 86.
-
-	Structure of 3 alpha-hydroxysteroid/dihydrodiol dehydrogenase complexed with NADP+.,Bennett MJ, Schlegel BP, Jez JM, Penning TM, Lewis M Biochemistry. 1996 Aug 20;35(33):10702-11. PMID:8718859<ref>PMID:8718859</ref>
-
-	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	</div>
-	<div class="pdbe-citations 1lwi" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
	*[[Hydroxysteroid dehydrogenase\|Hydroxysteroid dehydrogenase]]		*[[Hydroxysteroid dehydrogenase\|Hydroxysteroid dehydrogenase]]
	*[[Hydroxysteroid dehydrogenase 3D structures\|Hydroxysteroid dehydrogenase 3D structures]]		*[[Hydroxysteroid dehydrogenase 3D structures\|Hydroxysteroid dehydrogenase 3D structures]]
-	== References ==
-	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
	[[Category: Large Structures]]		[[Category: Large Structures]]
	[[Category: Rattus norvegicus]]		[[Category: Rattus norvegicus]]
-	[[Category: Bennett~~, M J~~]]	+	[[Category: Bennett MJ]]
-	[[Category: Jez~~, J M~~]]	+	[[Category: Jez JM]]
-	[[Category: Lewis, M]]	+	[[Category: Lewis M]]
-	[[Category: Penning~~, T M~~]]	+	[[Category: Penning TM]]
-	[[Category: Schlegel~~, B P]]~~	+	[[Category: Schlegel BP]]
-	~~[[Category: Nad]]~~	+
-	~~[[Category: Oxidoreductase~~]]	+

OCA at 06:49, 18 August 2021

OCA — Wed, 18 Aug 2021 06:49:54 GMT

←Older revision		Revision as of 06:49, 18 August 2021
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	<StructureSection load='1lwi' size='340' side='right'caption='[[1lwi]], [[Resolution\|resolution]] 2.70Å' scene=''>		<StructureSection load='1lwi' size='340' side='right'caption='[[1lwi]], [[Resolution\|resolution]] 2.70Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[1lwi]] is a 2 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/Rattus_norvegicus Rattus norvegicus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1LWI OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=1LWI FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[1lwi]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Rattus_norvegicus Rattus norvegicus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1LWI OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1LWI FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=NAP:NADP+NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NAP</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=NAP:NADP+NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NAP</scene></td></tr>
-	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[~~http~~://en.wikipedia.org/wiki/3-alpha-hydroxysteroid_dehydrogenase_(Re-specific) 3-alpha-hydroxysteroid dehydrogenase (Re-specific)], with EC number [~~http~~://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.1.1.213 1.1.1.213] </span></td></tr>	+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/3-alpha-hydroxysteroid_dehydrogenase_(Re-specific) 3-alpha-hydroxysteroid dehydrogenase (Re-specific)], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.1.1.213 1.1.1.213] </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=1lwi FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1lwi OCA], [~~http~~://pdbe.org/1lwi PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=1lwi RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/1lwi PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=1lwi 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=1lwi FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1lwi OCA], [https://pdbe.org/1lwi PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1lwi RCSB], [https://www.ebi.ac.uk/pdbsum/1lwi PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1lwi ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[[~~http~~://www.uniprot.org/uniprot/DIDH_RAT DIDH_RAT]] Besides being a 3-alpha-hydroxysteroid dehydrogenase, the enzyme can accomplish diverse functions: as quinone reductase, as an aromatic alcohol dehydrogenase, as dihydrodiol dehydrogenase, and as 9-, 11-, and 15-hydroxyprostaglandin dehydrogenase.	+	[[https://www.uniprot.org/uniprot/DIDH_RAT DIDH_RAT]] Besides being a 3-alpha-hydroxysteroid dehydrogenase, the enzyme can accomplish diverse functions: as quinone reductase, as an aromatic alcohol dehydrogenase, as dihydrodiol dehydrogenase, and as 9-, 11-, and 15-hydroxyprostaglandin dehydrogenase.
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
	[[Image:Consurf_key_small.gif\|200px\|right]]		[[Image:Consurf_key_small.gif\|200px\|right]]

OCA at 12:17, 13 November 2019

OCA — Wed, 13 Nov 2019 12:17:55 GMT

←Older revision		Revision as of 12:17, 13 November 2019
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	==3-ALPHA-HYDROXYSTEROID/DIHYDRODIOL DEHYDROGENASE FROM RATTUS NORVEGICUS==		==3-ALPHA-HYDROXYSTEROID/DIHYDRODIOL DEHYDROGENASE FROM RATTUS NORVEGICUS==
-	<StructureSection load='1lwi' size='340' side='right' caption='[[1lwi]], [[Resolution\|resolution]] 2.70Å' scene=''>	+	<StructureSection load='1lwi' size='340' side='right'caption='[[1lwi]], [[Resolution\|resolution]] 2.70Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[1lwi]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Rattus_norvegicus Rattus norvegicus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1LWI OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1LWI FirstGlance]. <br>		<table><tr><td colspan='2'>[[1lwi]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Rattus_norvegicus Rattus norvegicus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1LWI OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1LWI FirstGlance]. <br>
Line 29:		Line 29:
	</div>		</div>
	<div class="pdbe-citations 1lwi" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 1lwi" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Hydroxysteroid dehydrogenase\|Hydroxysteroid dehydrogenase]]
		+	*[[Hydroxysteroid dehydrogenase 3D structures\|Hydroxysteroid dehydrogenase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Large Structures]]
	[[Category: Rattus norvegicus]]		[[Category: Rattus norvegicus]]
	[[Category: Bennett, M J]]		[[Category: Bennett, M J]]

OCA at 07:53, 31 January 2018

OCA — Wed, 31 Jan 2018 07:53:55 GMT

←Older revision		Revision as of 07:53, 31 January 2018
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		+
	==3-ALPHA-HYDROXYSTEROID/DIHYDRODIOL DEHYDROGENASE FROM RATTUS NORVEGICUS==		==3-ALPHA-HYDROXYSTEROID/DIHYDRODIOL DEHYDROGENASE FROM RATTUS NORVEGICUS==
	<StructureSection load='1lwi' size='340' side='right' caption='[[1lwi]], [[Resolution\|resolution]] 2.70Å' scene=''>		<StructureSection load='1lwi' size='340' side='right' caption='[[1lwi]], [[Resolution\|resolution]] 2.70Å' scene=''>
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	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=NAP:NADP+NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NAP</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=NAP:NADP+NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NAP</scene></td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/3-alpha-hydroxysteroid_dehydrogenase_(Re-specific) 3-alpha-hydroxysteroid dehydrogenase (Re-specific)], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.1.1.213 1.1.1.213] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/3-alpha-hydroxysteroid_dehydrogenase_(Re-specific) 3-alpha-hydroxysteroid dehydrogenase (Re-specific)], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.1.1.213 1.1.1.213] </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=1lwi FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1lwi OCA], [http://pdbe.org/1lwi PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=1lwi RCSB], [http://www.ebi.ac.uk/pdbsum/1lwi 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=1lwi FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1lwi OCA], [http://pdbe.org/1lwi PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=1lwi RCSB], [http://www.ebi.ac.uk/pdbsum/1lwi PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=1lwi ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 13:		Line 14:
	Check<jmol>		Check<jmol>
	<jmolCheckbox>		<jmolCheckbox>
-	<scriptWhenChecked>select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/lw/1lwi_consurf.spt"</scriptWhenChecked>	+	<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/lw/1lwi_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 28:		Line 29:
	</div>		</div>
	<div class="pdbe-citations 1lwi" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 1lwi" style="background-color:#fffaf0;"></div>
-
-	==See Also==
-	*[[Hydroxysteroid dehydrogenase\|Hydroxysteroid dehydrogenase]]
	== References ==		== References ==
	<references/>		<references/>

OCA at 03:02, 10 February 2016

OCA — Wed, 10 Feb 2016 03:02:07 GMT

←Older revision		Revision as of 03:02, 10 February 2016
Line 17:		Line 17:
	<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=1lwi ConSurf].
	<div style="clear:both"></div>		<div style="clear:both"></div>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">

OCA at 04:44, 11 September 2015

OCA — Fri, 11 Sep 2015 04:44:27 GMT

←Older revision		Revision as of 04:44, 11 September 2015
Line 4:		Line 4:
	<table><tr><td colspan='2'>[[1lwi]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Rattus_norvegicus Rattus norvegicus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1LWI OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1LWI FirstGlance]. <br>		<table><tr><td colspan='2'>[[1lwi]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Rattus_norvegicus Rattus norvegicus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1LWI OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1LWI FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=NAP:NADP+NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NAP</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=NAP:NADP+NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NAP</scene></td></tr>
-	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/3-alpha-hydroxysteroid_dehydrogenase_(A-specific) 3-alpha-hydroxysteroid dehydrogenase (A-specific)], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.1.1.213 1.1.1.213] </span></td></tr>	+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/3-alpha-hydroxysteroid_dehydrogenase_(Re-specific) 3-alpha-hydroxysteroid dehydrogenase (Re-specific)], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.1.1.213 1.1.1.213] </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=1lwi FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1lwi OCA], [http://www.rcsb.org/pdb/explore.do?structureId=1lwi RCSB], [http://www.ebi.ac.uk/pdbsum/1lwi 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=1lwi FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1lwi OCA], [http://pdbe.org/1lwi PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=1lwi RCSB], [http://www.ebi.ac.uk/pdbsum/1lwi PDBsum]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 27:		Line 27:
	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 1lwi" style="background-color:#fffaf0;"></div>

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

OCA at 11:20, 25 December 2014

OCA — Thu, 25 Dec 2014 11:20:52 GMT

←Older revision		Revision as of 11:20, 25 December 2014
Line 3:		Line 3:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[1lwi]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Rattus_norvegicus Rattus norvegicus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1LWI OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1LWI FirstGlance]. <br>		<table><tr><td colspan='2'>[[1lwi]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Rattus_norvegicus Rattus norvegicus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1LWI OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1LWI FirstGlance]. <br>
-	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=NAP:NADP+NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NAP</scene><br>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=NAP:NADP+NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NAP</scene></td></tr>
-	<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/3-alpha-hydroxysteroid_dehydrogenase_(A-specific) 3-alpha-hydroxysteroid dehydrogenase (A-specific)], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.1.1.213 1.1.1.213] </span></td></tr>	+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/3-alpha-hydroxysteroid_dehydrogenase_(A-specific) 3-alpha-hydroxysteroid dehydrogenase (A-specific)], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.1.1.213 1.1.1.213] </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=1lwi FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1lwi OCA], [http://www.rcsb.org/pdb/explore.do?structureId=1lwi RCSB], [http://www.ebi.ac.uk/pdbsum/1lwi 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=1lwi FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1lwi OCA], [http://www.rcsb.org/pdb/explore.do?structureId=1lwi RCSB], [http://www.ebi.ac.uk/pdbsum/1lwi PDBsum]</span></td></tr>
-	<table>	+	</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/DIDH_RAT DIDH_RAT]] Besides being a 3-alpha-hydroxysteroid dehydrogenase, the enzyme can accomplish diverse functions: as quinone reductase, as an aromatic alcohol dehydrogenase, as dihydrodiol dehydrogenase, and as 9-, 11-, and 15-hydroxyprostaglandin dehydrogenase.
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
	[[Image:Consurf_key_small.gif\|200px\|right]]		[[Image:Consurf_key_small.gif\|200px\|right]]
Line 33:		Line 35:
	</StructureSection>		</StructureSection>
	[[Category: Rattus norvegicus]]		[[Category: Rattus norvegicus]]
-	[[Category: Bennett, M J.]]	+	[[Category: Bennett, M J]]
-	[[Category: Jez, J M.]]	+	[[Category: Jez, J M]]
-	[[Category: Lewis, M.]]	+	[[Category: Lewis, M]]
-	[[Category: Penning, T M.]]	+	[[Category: Penning, T M]]
-	[[Category: Schlegel, B P.]]	+	[[Category: Schlegel, B P]]
	[[Category: Nad]]		[[Category: Nad]]
	[[Category: Oxidoreductase]]		[[Category: Oxidoreductase]]

OCA at 13:16, 28 September 2014

OCA — Sun, 28 Sep 2014 13:16:36 GMT

←Older revision		Revision as of 13:16, 28 September 2014
Line 1:		Line 1:
-	[[~~Image~~:1lwi.~~png\|left~~\|200px]]	+	==3-ALPHA-HYDROXYSTEROID/DIHYDRODIOL DEHYDROGENASE FROM RATTUS NORVEGICUS==
		+	<StructureSection load='1lwi' size='340' side='right' caption='[[1lwi]], [[Resolution\|resolution]] 2.70Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[1lwi]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Rattus_norvegicus Rattus norvegicus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1LWI OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1LWI FirstGlance]. <br>
		+	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=NAP:NADP+NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NAP</scene><br>
		+	<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/3-alpha-hydroxysteroid_dehydrogenase_(A-specific) 3-alpha-hydroxysteroid dehydrogenase (A-specific)], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.1.1.213 1.1.1.213] </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=1lwi FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1lwi OCA], [http://www.rcsb.org/pdb/explore.do?structureId=1lwi RCSB], [http://www.ebi.ac.uk/pdbsum/1lwi 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/lw/1lwi_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 ==
		+	Rat liver 3 alpha-hydroxysteroid/dihydrodiol dehydrogenase (3 alpha-HSD) inactivates circulating steroid hormones and is involved in polycyclic aromatic hydrocarbon (PAH) carcinogenesis. It is the only HSD of known structure in the aldo-keto reductase (AKR) superfamily and may provide a paradigm for other mammalian HSDs in this family. The structure of the 3 alpha-HSD.NADP+ binary complex has been determined at 2.7 A resolution and refined to a crystallographic R-factor of 23.4% with good geometry. The model is similar to other binary complexes in the AKR superfamily in that NADP+ binds at the C-terminal end of an alpha/beta barrel. However, it is unique in that NADP+ is bound in two alternate conformations, probably because of the lack of a salt-linked "safety belt" over the pyrophosphate bridge. The structure supports a previously proposed catalytic mechanism for carbonyl reduction in which Tyr 55 is the general acid, and its effective pKa is lowered by the adjacent Lys 84. We present evidence that the structurally distinct short-chain dehydrogenase/reductase (SDR) superfamily may have convergently evolved a similar catalytic mechanism. Insight into substrate binding is offered by a crystal packing contact in which a neighboring molecule inserts a tryptophan residue (Trp 227) into an apolar cleft in 3 alpha-HSD. This cleft is proximal to the bound NADP+ cofactor and contains a surface of apolar residues (Leu 54, Trp 86, Leu 122, Phe 128, Phe 129, Leu 137, Phe 139), making it a likely candidate for the substrate-binding site. Thus, in forming this crystal contact, Trp 227 may mimic a portion of a bound steroid. In addition, we propose that a water molecule in the active site indicates the position of the hydroxyl oxygen in a 3 alpha-hydroxysteroid substrate. Knowledge of the position of this water molecule, combined with the stereochemistry of hydride transfer, suggests that the alpha face of a bound steroid will be oriented toward the side of the apolar cleft containing Trp 86.

-	~~{{STRUCTURE_1lwi\| PDB=1lwi \| SCENE= }}~~	+	Structure of 3 alpha-hydroxysteroid/dihydrodiol dehydrogenase complexed with NADP+.,Bennett MJ, Schlegel BP, Jez JM, Penning TM, Lewis M Biochemistry. 1996 Aug 20;35(33):10702-11. PMID:8718859<ref>PMID:8718859</ref>

-	~~===3-ALPHA-HYDROXYSTEROID~~/~~DIHYDRODIOL DEHYDROGENASE FROM RATTUS NORVEGICUS===~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-		+	</div>
-	~~{{ABSTRACT_PUBMED_8718859}}~~	+
-		+
-	~~==About this Structure==~~	+
-	~~[[1lwi]] is~~ a ~~2 chain structure with sequence from [http://en~~.~~wikipedia~~.~~org/wiki/Rattus_norvegicus Rattus norvegicus]~~. ~~Full crystallographic information is available from [http:~~/~~/oca.weizmann.ac.il/oca-bin/ocashort?id=1LWI OCA].~~	+

	==See Also==		==See Also==
	*[[Hydroxysteroid dehydrogenase\|Hydroxysteroid dehydrogenase]]		*[[Hydroxysteroid dehydrogenase\|Hydroxysteroid dehydrogenase]]
-		+	== References ==
-	==~~Reference~~==	+	<references/>
-	<~~ref group="xtra">PMID:008718859<~~/~~ref~~><~~references group="xtra"~~/>	+	__TOC__
		+	</StructureSection>
	[[Category: Rattus norvegicus]]		[[Category: Rattus norvegicus]]
	[[Category: Bennett, M J.]]		[[Category: Bennett, M J.]]

OCA at 16:05, 20 October 2012

OCA — Sat, 20 Oct 2012 16:05:57 GMT

←Older revision		Revision as of 16:05, 20 October 2012
Line 8:		Line 8:

	==About this Structure==		==About this Structure==
-	[[1lwi]] is a 2 chain structure ~~of [[Hydroxysteroid dehydrogenase]]~~ with sequence from [http://en.wikipedia.org/wiki/Rattus_norvegicus Rattus norvegicus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1LWI OCA].	+	[[1lwi]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Rattus_norvegicus Rattus norvegicus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1LWI OCA].

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

OCA at 20:36, 26 July 2012

OCA — Thu, 26 Jul 2012 20:36:09 GMT

←Older revision		Revision as of 20:36, 26 July 2012
Line 1:		Line 1:
	[[Image:1lwi.png\|left\|200px]]		[[Image:1lwi.png\|left\|200px]]

-	<!--
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	{{STRUCTURE_1lwi\| PDB=1lwi \| SCENE= }}		{{STRUCTURE_1lwi\| PDB=1lwi \| SCENE= }}

	===3-ALPHA-HYDROXYSTEROID/DIHYDRODIOL DEHYDROGENASE FROM RATTUS NORVEGICUS===		===3-ALPHA-HYDROXYSTEROID/DIHYDRODIOL DEHYDROGENASE FROM RATTUS NORVEGICUS===

-
-	<!--
-	The line below this paragraph, {{ABSTRACT_PUBMED_8718859}}, adds the Publication Abstract to the page
-	(as it appears on PubMed at http://www.pubmed.gov), where 8718859 is the PubMed ID number.
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	{{ABSTRACT_PUBMED_8718859}}		{{ABSTRACT_PUBMED_8718859}}

	==About this Structure==		==About this Structure==
-	[[1lwi]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Rattus_norvegicus Rattus norvegicus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1LWI OCA].	+	[[1lwi]] is a 2 chain structure of [[Hydroxysteroid dehydrogenase]] with sequence from [http://en.wikipedia.org/wiki/Rattus_norvegicus Rattus norvegicus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1LWI OCA].

	==See Also==		==See Also==
-	*[[~~Group:SMART:2010 Pingry SMART Team~~]]	+	*[[Hydroxysteroid dehydrogenase\|Hydroxysteroid dehydrogenase]]

	==Reference==		==Reference==