5y77 - Revision history

OCA at 07:13, 28 February 2018

OCA — Wed, 28 Feb 2018 07:13:07 GMT

←Older revision		Revision as of 07:13, 28 February 2018
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	<StructureSection load='5y77' size='340' side='right' caption='[[5y77]], [[Resolution\|resolution]] 1.60Å' scene=''>		<StructureSection load='5y77' size='340' side='right' caption='[[5y77]], [[Resolution\|resolution]] 1.60Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5y77]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5Y77 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5Y77 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5y77]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/"bacillus_fluorescens_liquefaciens"_flugge_1886 "bacillus fluorescens liquefaciens" flugge 1886]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5Y77 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5Y77 FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=FAD:FLAVIN-ADENINE+DINUCLEOTIDE'>FAD</scene>, <scene name='pdbligand=KYN:(2S)-2-AMINO-4-(2-AMINOPHENYL)-4-OXOBUTANOIC+ACID'>KYN</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=FAD:FLAVIN-ADENINE+DINUCLEOTIDE'>FAD</scene>, <scene name='pdbligand=KYN:(2S)-2-AMINO-4-(2-AMINOPHENYL)-4-OXOBUTANOIC+ACID'>KYN</scene></td></tr>
	<tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=MSE:SELENOMETHIONINE'>MSE</scene></td></tr>		<tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=MSE:SELENOMETHIONINE'>MSE</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[5y66\|5y66]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[5y66\|5y66]]</td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">kmo, qbsG ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=294 "Bacillus fluorescens liquefaciens" Flugge 1886])</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Kynurenine_3-monooxygenase Kynurenine 3-monooxygenase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.14.13.9 1.14.13.9] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Kynurenine_3-monooxygenase Kynurenine 3-monooxygenase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.14.13.9 1.14.13.9] </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=5y77 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5y77 OCA], [http://pdbe.org/5y77 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5y77 RCSB], [http://www.ebi.ac.uk/pdbsum/5y77 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5y77 ProSAT]</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=5y77 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5y77 OCA], [http://pdbe.org/5y77 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5y77 RCSB], [http://www.ebi.ac.uk/pdbsum/5y77 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5y77 ProSAT]</span></td></tr>
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	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Bacillus fluorescens liquefaciens flugge 1886]]
	[[Category: Kynurenine 3-monooxygenase]]		[[Category: Kynurenine 3-monooxygenase]]
	[[Category: Gao, J J]]		[[Category: Gao, J J]]

OCA at 08:31, 27 December 2017

OCA — Wed, 27 Dec 2017 08:31:27 GMT

←Older revision		Revision as of 08:31, 27 December 2017
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 5y77 is ~~ON HOLD until Paper~~ Publication	+	==Crystal structure of Pseudomonas fluorescens Kynurenine 3-monooxygenase in complex with L-KYN (seMet derivative)==
		+	<StructureSection load='5y77' size='340' side='right' caption='[[5y77]], [[Resolution\|resolution]] 1.60Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[5y77]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5Y77 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5Y77 FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=FAD:FLAVIN-ADENINE+DINUCLEOTIDE'>FAD</scene>, <scene name='pdbligand=KYN:(2S)-2-AMINO-4-(2-AMINOPHENYL)-4-OXOBUTANOIC+ACID'>KYN</scene></td></tr>
		+	<tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=MSE:SELENOMETHIONINE'>MSE</scene></td></tr>
		+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[5y66\|5y66]]</td></tr>
		+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Kynurenine_3-monooxygenase Kynurenine 3-monooxygenase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.14.13.9 1.14.13.9] </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=5y77 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5y77 OCA], [http://pdbe.org/5y77 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5y77 RCSB], [http://www.ebi.ac.uk/pdbsum/5y77 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5y77 ProSAT]</span></td></tr>
		+	</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/KMO_PSEFL KMO_PSEFL]] Catalyzes the hydroxylation of L-kynurenine (L-Kyn) to form 3-hydroxy-L-kynurenine (L-3OHKyn). Probably required for the synthesis of quinolinic acid and the siderophore quinolobactin.
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	The human kynurenine 3-monooxygenase (hKMO) is a potential therapeutic target for neurodegenerative and neurologic disorders. Inhibition of KMO by Ro 61-8048, a potent, selective, and the most widely used inhibitor of KMO, was shown effective in various models of neurodegenerative or neurologic disorders. However, the molecular basis of hKMO inhibition by Ro 61-8048 is not clearly understood. Here, we report biochemistry studies on hKMO and crystal structures of an hKMO homolog, pfKMO from Pseudomonas fluorescens, in complex with the substrate l-kynurenine and Ro 61-8048. We found that the C-terminal approximately 110 aa are essential for the enzymatic activity of hKMO and the homologous C-terminal region of pfKMO folds into a distinct, all-alpha-helical domain, which associates with the N-terminal catalytic domain to form a unique tunnel in proximity to the substrate-binding pocket. The tunnel binds the Ro 61-8048 molecule, which fills most of the tunnel, and Ro 61-8048 is hydrogen bonded with several completely conserved residues, including an essential catalytic residue. Modification of Ro 61-8048 and biochemical studies of the modified Ro 61-8048 derivatives suggested that Ro 61-8048 inhibits the enzyme in an allosteric manner by affecting the conformation of the essential catalytic residue and by blocking entry of the substrate or product release. The unique binding sites distinguish Ro 61-8048 as a noncompetitive and highly selective inhibitor from other competitive inhibitors, which should facilitate further optimization of Ro 61-8048 and the development of new inhibitory drugs to hKMO.-Gao, J., Yao, L., Xia, T., Liao, X., Zhu, D., Xiang, Y. Biochemistry and structural studies of kynurenine 3-monooxygenase reveal allosteric inhibition by Ro 61-8048.

-	~~Authors: Xiang, Y~~., Gao, J~~.J.~~, ~~Zhu~~, D.Y.	+	Biochemistry and structural studies of kynurenine 3-monooxygenase reveal allosteric inhibition by Ro 61-8048.,Gao J, Yao L, Xia T, Liao X, Zhu D, Xiang Y FASEB J. 2017 Dec 5. pii: fj.201700397RR. doi: 10.1096/fj.201700397RR. PMID:29208702<ref>PMID:29208702</ref>

-	~~Description: Crystal structure~~ of ~~Pseudomonas fluorescens Kynurenine 3~~-~~monooxygenase in complex with L~~-~~KYN (seMet derivative)~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	~~[[Category~~: ~~Unreleased Structures]]~~	+	</div>
-	[[Category: ~~Zhu, D.Y~~]]	+	<div class="pdbe-citations 5y77" style="background-color:#fffaf0;"></div>
-	[[Category: Gao, J.J]]	+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Kynurenine 3-monooxygenase]]
		+	[[Category: Gao, J J]]
	[[Category: Xiang, Y]]		[[Category: Xiang, Y]]
		+	[[Category: Zhu, D Y]]
		+	[[Category: Enzyme]]
		+	[[Category: Kmo]]
		+	[[Category: L-kyn]]
		+	[[Category: Oxidoreductase]]

OCA: Protected "5y77" [edit=sysop:move=sysop]

OCA — Wed, 27 Sep 2017 16:13:31 GMT

Protected "5y77" [edit=sysop:move=sysop]

←Older revision

Revision as of 16:13, 27 September 2017

OCA: New page: '''Unreleased structure''' The entry 5y77 is ON HOLD until Paper Publication Authors: Xiang, Y., Gao, J.J., Zhu, D.Y. Description: Crystal structure of Pseudomonas fluorescens Kynureni...

OCA — Wed, 27 Sep 2017 16:13:30 GMT

New page: '''Unreleased structure''' The entry 5y77 is ON HOLD until Paper Publication Authors: Xiang, Y., Gao, J.J., Zhu, D.Y. Description: Crystal structure of Pseudomonas fluorescens Kynureni...

New page

'''Unreleased structure'''

The entry 5y77 is ON HOLD until Paper Publication

Authors: Xiang, Y., Gao, J.J., Zhu, D.Y.

Description: Crystal structure of Pseudomonas fluorescens Kynurenine 3-monooxygenase in complex with L-KYN (seMet derivative)
[[Category: Unreleased Structures]]
[[Category: Zhu, D.Y]]
[[Category: Gao, J.J]]
[[Category: Xiang, Y]]