7e8q - Revision history

OCA at 16:48, 29 November 2023

OCA — Wed, 29 Nov 2023 16:48:50 GMT

←Older revision		Revision as of 16:48, 29 November 2023
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	<StructureSection load='7e8q' size='340' side='right'caption='[[7e8q]], [[Resolution\|resolution]] 2.30Å' scene=''>		<StructureSection load='7e8q' size='340' side='right'caption='[[7e8q]], [[Resolution\|resolution]] 2.30Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[7e8q]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/~~Atcc_27511 Atcc 27511~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7E8Q OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7E8Q FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[7e8q]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Ralstonia_pickettii Ralstonia pickettii]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7E8Q OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7E8Q FirstGlance]. <br>
-	</td></tr><tr id='~~ligand~~'><td class="sblockLbl"><b>[[~~Ligand~~\|~~Ligands~~:]]</b></td><td class="sblockDat" id="~~ligandDat~~">~~<scene name='pdbligand=FDA:DIHYDROFLAVINE~~-~~ADENINE+DINUCLEOTIDE'>FDA</scene>~~, ~~<scene name='pdbligand=NPO:P-NITROPHENOL'>NPO</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]] 2.3Å</td></tr>
-	<tr id='~~related~~'><td class="sblockLbl"><b>[[~~Related_structure~~\|~~Related~~:]]</b></td><td class="sblockDat"><~~div style~~='~~overflow~~: ~~auto; max~~-~~height: 3em;~~'>~~[[6jhm\|6jhm]], [[7e8p\|7e8p]]~~</~~div~~><~~/td></tr>~~	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=FDA:DIHYDROFLAVINE-ADENINE+DINUCLEOTIDE'>FDA</scene>, <scene name='pdbligand=NPO:P-NITROPHENOL'>NPO</scene></td></tr>
-	~~<tr id~~='~~gene'><td class~~=~~"sblockLbl"><b>[[Gene\|Gene~~:~~]]</b~~></td>~~<td class="sblockDat">hadA ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=329 ATCC 27511])~~</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=7e8q FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7e8q OCA], [https://pdbe.org/7e8q PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7e8q RCSB], [https://www.ebi.ac.uk/pdbsum/7e8q PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7e8q 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=7e8q FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7e8q OCA], [https://pdbe.org/7e8q PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7e8q RCSB], [https://www.ebi.ac.uk/pdbsum/7e8q PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7e8q ProSAT]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/Q53008_RALPI Q53008_RALPI]
	<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 7e8q" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 7e8q" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Monooxygenase 3D structures\|Monooxygenase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: Atcc 27511]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: ~~Chaiyen, P~~]]	+	[[Category: Ralstonia pickettii]]
-	[[Category: ~~Chitnumsub,~~ P]]	+	[[Category: Chaiyen P]]
-	[[Category: ~~Jaruwat, A]]~~	+	[[Category: Chitnumsub P]]
-	~~[[Category: Pimviriyakul,~~ P]]	+	[[Category: Jaruwat A]]
-	[[Category: ~~Chlorophenol 4-monooxygenase~~]]	+	[[Category: Pimviriyakul P]]
-	[[Category: ~~Flavin monooxygenase]]~~	+
-	~~[[Category: Oxidoreductase~~]]	+

OCA at 10:47, 28 July 2021

OCA — Wed, 28 Jul 2021 10:47:55 GMT

←Older revision		Revision as of 10:47, 28 July 2021
Line 1:		Line 1:

	==Crystal structure of a Flavin-dependent Monooxygenase HadA F441V mutant complexed with reduced FAD and 4-nitrophenol==		==Crystal structure of a Flavin-dependent Monooxygenase HadA F441V mutant complexed with reduced FAD and 4-nitrophenol==
-	<StructureSection load='7e8q' size='340' side='right'caption='[[7e8q]]' scene=''>	+	<StructureSection load='7e8q' size='340' side='right'caption='[[7e8q]], [[Resolution\|resolution]] 2.30Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7E8Q OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7E8Q FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[7e8q]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Atcc_27511 Atcc 27511]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7E8Q OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7E8Q FirstGlance]. <br>
-	</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=7e8q FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7e8q OCA], [https://pdbe.org/7e8q PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7e8q RCSB], [https://www.ebi.ac.uk/pdbsum/7e8q PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7e8q ProSAT]</span></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=FDA:DIHYDROFLAVINE-ADENINE+DINUCLEOTIDE'>FDA</scene>, <scene name='pdbligand=NPO:P-NITROPHENOL'>NPO</scene></td></tr>
		+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[6jhm\|6jhm]], [[7e8p\|7e8p]]</div></td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">hadA ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=329 ATCC 27511])</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=7e8q FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7e8q OCA], [https://pdbe.org/7e8q PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7e8q RCSB], [https://www.ebi.ac.uk/pdbsum/7e8q PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7e8q ProSAT]</span></td></tr>
	</table>		</table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	HadA is a flavin-dependent monooxygenase catalyzing hydroxylation plus dehalogenation/denitration which is useful for biodetoxification and bio-detection. In this study, the X-ray structure of wild-type HadA (HadAWT) co-complexed with reduced FAD (FADH(-)) and 4-nitrophenol (4NP) (HadAWT-FADH(-)-4NP) was solved at 2.3 A resolution, providing the first full package (with flavin and substrate bound) structure of a monooxygenase of this type. Residues Arg101, Gln158, Arg161, Thr193, Asp254, Arg233, and Arg439 constitute a flavin binding pocket, while the 4NP binding pocket contains the aromatic sidechain of Phe206, which provides pi-pi stacking and also is a part of the hydrophobic pocket formed by Phe155, Phe286, Thr449 and Leu457. Based on site-directed mutagenesis and stopped-flow experiments, Thr193, Asp254 and His290 are important for C4a-hydroperoxyflavin formation with His290, also serving as a catalytic base for hydroxylation. We also identified a novel structural motif of quadruple pi-stacking (pi-pi-pi-pi) provided by two 4NP and two Phe441 from two subunits. This motif promotes 4NP binding in a non-productive dead-end complex which prevents C4a-hydroperoxy-FAD formation when HadA is pre-mixed with aromatic substrates. We also solved the structure of the HadAPhe441Val-FADH(-)-4NP complex at 2.3 A resolution. Although 4NP can still bind to this variant, the quadruple pi-stacking motif was disrupted. All HadAPhe441 variants lack substrate inhibition behavior, confirming that quadruple pi-stacking is a main cause of dead-end complex formation. Moreover, the activities of these HadAPhe441 variants were improved by 20%, suggesting that insights gained from the flavin-dependent monooxygenases illustrated here should be useful for future improvement of HadA's biocatalytic applications.
		+
		+	Structural Insights into a Flavin-dependent Dehalogenase HadA Explain Catalysis and Substrate Inhibition via Quadruple pi-stacking.,Pimviriyakul P, Jaruwat A, Chitnumsub P, Chaiyen P J Biol Chem. 2021 Jul 9:100952. doi: 10.1016/j.jbc.2021.100952. PMID:34252455<ref>PMID:34252455</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 7e8q" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Atcc 27511]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Chaiyen P]]	+	[[Category: Chaiyen, P]]
-	[[Category: Chitnumsub P]]	+	[[Category: Chitnumsub, P]]
-	[[Category: Jaruwat A]]	+	[[Category: Jaruwat, A]]
-	[[Category: Pimviriyakul P]]	+	[[Category: Pimviriyakul, P]]
		+	[[Category: Chlorophenol 4-monooxygenase]]
		+	[[Category: Flavin monooxygenase]]
		+	[[Category: Oxidoreductase]]

OCA at 08:57, 21 July 2021

OCA — Wed, 21 Jul 2021 08:57:29 GMT

←Older revision		Revision as of 08:57, 21 July 2021
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-	'''Unreleased structure'''

-	~~The entry 7e8q is ON HOLD until Paper Publication~~	+	==Crystal structure of a Flavin-dependent Monooxygenase HadA F441V mutant complexed with reduced FAD and 4-nitrophenol==
-		+	<StructureSection load='7e8q' size='340' side='right'caption='[[7e8q]]' scene=''>
-	~~Authors: Pimviriyakul, P., Jaruwat, A., Chitnumsub, P., Chaiyen, P.~~	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7E8Q OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7E8Q FirstGlance]. <br>
-	~~Description:~~ Crystal structure of a Flavin-dependent Monooxygenase HadA F441V mutant complexed with reduced FAD and 4-nitrophenol	+	</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=7e8q FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7e8q OCA], [https://pdbe.org/7e8q PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7e8q RCSB], [https://www.ebi.ac.uk/pdbsum/7e8q PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7e8q ProSAT]</span></td></tr>
-	[[~~Category~~: ~~Unreleased Structures~~]]	+	</table>
-	[[~~Category~~: ~~Jaruwat~~, A]]	+	__TOC__
-	[[Category: Chaiyen, P]]	+	</StructureSection>
-	[[Category: Chitnumsub, P]]	+	[[Category: Large Structures]]
-	[[Category: Pimviriyakul, P]]	+	[[Category: Chaiyen P]]
		+	[[Category: Chitnumsub P]]
		+	[[Category: Jaruwat A]]
		+	[[Category: Pimviriyakul P]]

OCA at 07:15, 5 May 2021

OCA — Wed, 05 May 2021 07:15:14 GMT

←Older revision		Revision as of 07:15, 5 May 2021
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	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 7e8q is ON HOLD	+	The entry 7e8q is ON HOLD until Paper Publication

	Authors: Pimviriyakul, P., Jaruwat, A., Chitnumsub, P., Chaiyen, P.		Authors: Pimviriyakul, P., Jaruwat, A., Chitnumsub, P., Chaiyen, P.

OCA: Protected "7e8q" [edit=sysop:move=sysop]

OCA — Wed, 10 Mar 2021 14:34:17 GMT

Protected "7e8q" [edit=sysop:move=sysop]

←Older revision

Revision as of 14:34, 10 March 2021

OCA: New page: '''Unreleased structure''' The entry 7e8q is ON HOLD Authors: Pimviriyakul, P., Jaruwat, A., Chitnumsub, P., Chaiyen, P. Description: Crystal structure of a Flavin-dependent Monooxygen...

OCA — Wed, 10 Mar 2021 14:34:15 GMT

New page: '''Unreleased structure''' The entry 7e8q is ON HOLD Authors: Pimviriyakul, P., Jaruwat, A., Chitnumsub, P., Chaiyen, P. Description: Crystal structure of a Flavin-dependent Monooxygen...

New page

'''Unreleased structure'''

The entry 7e8q is ON HOLD

Authors: Pimviriyakul, P., Jaruwat, A., Chitnumsub, P., Chaiyen, P.

Description: Crystal structure of a Flavin-dependent Monooxygenase HadA F441V mutant complexed with reduced FAD and 4-nitrophenol
[[Category: Unreleased Structures]]
[[Category: Jaruwat, A]]
[[Category: Chaiyen, P]]
[[Category: Chitnumsub, P]]
[[Category: Pimviriyakul, P]]