7kqu - Revision history

OCA at 15:30, 18 October 2023

OCA — Wed, 18 Oct 2023 15:30:26 GMT

←Older revision		Revision as of 15:30, 18 October 2023
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	<StructureSection load='7kqu' size='340' side='right'caption='[[7kqu]], [[Resolution\|resolution]] 1.58Å' scene=''>		<StructureSection load='7kqu' size='340' side='right'caption='[[7kqu]], [[Resolution\|resolution]] 1.58Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[7kqu]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/~~Atcc_15721 Atcc 15721~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7KQU OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7KQU FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[7kqu]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Streptomyces_sclerotialus Streptomyces sclerotialus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7KQU OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7KQU FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=BTB:2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL'>BTB</scene>, <scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene>, <scene name='pdbligand=PEO:HYDROGEN+PEROXIDE'>PEO</scene>, <scene name='pdbligand=TRS:2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL'>TRS</scene>, <scene name='pdbligand=YOF:3-FLUOROTYROSINE'>YOF</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]] 1.579Å</td></tr>
		+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=BTB:2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL'>BTB</scene>, <scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene>, <scene name='pdbligand=PEO:HYDROGEN+PEROXIDE'>PEO</scene>, <scene name='pdbligand=TRS:2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL'>TRS</scene>, <scene name='pdbligand=YOF:3-FLUOROTYROSINE'>YOF</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=7kqu FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7kqu OCA], [https://pdbe.org/7kqu PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7kqu RCSB], [https://www.ebi.ac.uk/pdbsum/7kqu PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7kqu 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=7kqu FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7kqu OCA], [https://pdbe.org/7kqu PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7kqu RCSB], [https://www.ebi.ac.uk/pdbsum/7kqu PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7kqu ProSAT]</span></td></tr>
	</table>		</table>
Line 16:		Line 17:
	</div>		</div>
	<div class="pdbe-citations 7kqu" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 7kqu" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Hydroxylases 3D structures\|Hydroxylases 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: Atcc 15721]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: ~~Davis, I~~]]	+	[[Category: Streptomyces sclerotialus]]
-	[[Category: ~~Liu, A~~]]	+	[[Category: Davis I]]
-	[[Category: ~~Wang, Y~~]]	+	[[Category: Liu A]]
-	[[Category: ~~Heme-binding enzyme]]~~	+	[[Category: Wang Y]]
-	~~[[Category: L-tyrosine hydroxylase]]~~	+
-	~~[[Category: Oxidoreductase~~]]	+

OCA at 07:14, 7 April 2021

OCA — Wed, 07 Apr 2021 07:14:04 GMT

←Older revision		Revision as of 07:14, 7 April 2021
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	==A 1.58-A resolution crystal structure of ferric-hydroperoxo intermediate of L-tyrosine hydroxylase in complex with 3-fluoro-L-tyrosine==		==A 1.58-A resolution crystal structure of ferric-hydroperoxo intermediate of L-tyrosine hydroxylase in complex with 3-fluoro-L-tyrosine==
-	<StructureSection load='7kqu' size='340' side='right'caption='[[7kqu]]' scene=''>	+	<StructureSection load='7kqu' size='340' side='right'caption='[[7kqu]], [[Resolution\|resolution]] 1.58Å' 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=7KQU OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7KQU FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[7kqu]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Atcc_15721 Atcc 15721]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7KQU OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7KQU 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=7kqu FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7kqu OCA], [https://pdbe.org/7kqu PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7kqu RCSB], [https://www.ebi.ac.uk/pdbsum/7kqu PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7kqu 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=BTB:2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL'>BTB</scene>, <scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene>, <scene name='pdbligand=PEO:HYDROGEN+PEROXIDE'>PEO</scene>, <scene name='pdbligand=TRS:2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL'>TRS</scene>, <scene name='pdbligand=YOF:3-FLUOROTYROSINE'>YOF</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=7kqu FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7kqu OCA], [https://pdbe.org/7kqu PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7kqu RCSB], [https://www.ebi.ac.uk/pdbsum/7kqu PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7kqu ProSAT]</span></td></tr>
	</table>		</table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	The heme-dependent l-tyrosine hydroxylases (TyrHs) in natural product biosynthesis constitute a new enzyme family in contrast to the nonheme iron enzymes for DOPA production. A representative TyrH exhibits dual reactivity of C-H and C-F bond cleavage when challenged with 3-fluoro-l-tyrosine (3-F-Tyr) as a substrate. However, little is known about how the enzyme mediates two distinct reactions. Herein, a new TyrH from the thermophilic bacterium Streptomyces sclerotialus (SsTyrH) was functionally and structurally characterized. A de novo crystal structure of the enzyme-substrate complex at 1.89-A resolution provides the first comprehensive structural study of this hydroxylase. The binding conformation of l-tyrosine indicates that C-H bond hydroxylation is initiated by electron transfer. Mutagenesis studies confirmed that an active site histidine, His88, participates in catalysis. We also obtained a 1.68-A resolution crystal structure in complex with the monofluorinated substrate, 3-F-Tyr, which shows one binding conformation but two orientations of the fluorine atom with a ratio of 7:3, revealing that the primary factor of product distribution is the substrate orientation. During in crystallo reaction, a ferric-hydroperoxo intermediate (compound 0, Fe(3+)-OOH) was observed with 3-F-Tyr as a substrate based on characteristic spectroscopic features. We determined the crystal structure of this compound 0-type intermediate and refined it to 1.58-A resolution. Collectively, this study provided the first molecular details of the heme-dependent TyrH and determined the primary factor that dictates the partitioning between the dual reactivities of C-H and C-F bond activation.
		+
		+	Molecular Rationale for Partitioning between C-H and C-F Bond Activation in Heme-Dependent Tyrosine Hydroxylase.,Wang Y, Davis I, Shin I, Xu H, Liu A J Am Chem Soc. 2021 Mar 18. doi: 10.1021/jacs.1c00175. PMID:33734681<ref>PMID:33734681</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 7kqu" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Atcc 15721]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Davis I]]	+	[[Category: Davis, I]]
-	[[Category: Liu A]]	+	[[Category: Liu, A]]
-	[[Category: Wang Y]]	+	[[Category: Wang, Y]]
		+	[[Category: Heme-binding enzyme]]
		+	[[Category: L-tyrosine hydroxylase]]
		+	[[Category: Oxidoreductase]]

OCA at 10:33, 31 March 2021

OCA — Wed, 31 Mar 2021 10:33:49 GMT

←Older revision		Revision as of 10:33, 31 March 2021
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-	'''Unreleased structure'''

-	~~The entry 7kqu is ON HOLD until Paper Publication~~	+	==A 1.58-A resolution crystal structure of ferric-hydroperoxo intermediate of L-tyrosine hydroxylase in complex with 3-fluoro-L-tyrosine==
-		+	<StructureSection load='7kqu' size='340' side='right'caption='[[7kqu]]' scene=''>
-	~~Authors: Wang, Y., Davis, I., Liu, A.~~	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7KQU OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7KQU FirstGlance]. <br>
-	~~Description:~~ A 1.58-A resolution crystal structure of ferric-hydroperoxo intermediate of L-tyrosine hydroxylase in complex with 3-fluoro-L-tyrosine	+	</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=7kqu FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7kqu OCA], [https://pdbe.org/7kqu PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7kqu RCSB], [https://www.ebi.ac.uk/pdbsum/7kqu PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7kqu ProSAT]</span></td></tr>
-	[[Category: ~~Unreleased~~ Structures]]	+	</table>
-	[[Category: Davis, I]]	+	__TOC__
-	[[Category: ~~Wang, Y~~]]	+	</StructureSection>
-	[[Category: ~~Liu, A~~]]	+	[[Category: Large Structures]]
		+	[[Category: Davis I]]
		+	[[Category: Liu A]]
		+	[[Category: Wang Y]]

OCA at 08:00, 24 December 2020

OCA — Thu, 24 Dec 2020 08:00:27 GMT

←Older revision		Revision as of 08:00, 24 December 2020
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

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

	Authors: Wang, Y., Davis, I., Liu, A.		Authors: Wang, Y., Davis, I., Liu, A.

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

OCA — Wed, 25 Nov 2020 05:33:54 GMT

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

←Older revision

Revision as of 05:33, 25 November 2020

OCA: New page: '''Unreleased structure''' The entry 7kqu is ON HOLD Authors: Wang, Y., Davis, I., Liu, A. Description: A 1.58-A resolution crystal structure of ferric-hydroperoxo intermediate of L-ty...

OCA — Wed, 25 Nov 2020 05:33:53 GMT

New page: '''Unreleased structure''' The entry 7kqu is ON HOLD Authors: Wang, Y., Davis, I., Liu, A. Description: A 1.58-A resolution crystal structure of ferric-hydroperoxo intermediate of L-ty...

New page

'''Unreleased structure'''

The entry 7kqu is ON HOLD

Authors: Wang, Y., Davis, I., Liu, A.

Description: A 1.58-A resolution crystal structure of ferric-hydroperoxo intermediate of L-tyrosine hydroxylase in complex with 3-fluoro-L-tyrosine
[[Category: Unreleased Structures]]
[[Category: Davis, I]]
[[Category: Wang, Y]]
[[Category: Liu, A]]