OCA at 07:09, 25 October 2023

OCA — Wed, 25 Oct 2023 07:09:17 GMT

←Older revision		Revision as of 07:09, 25 October 2023
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-	'''Unreleased structure'''

-	The ~~entry~~ 8taw is ~~ON HOLD until Paper~~ Publication	+	==The crystal structure of T252E CYP199A4 bound to 4-(pyridin-2-yl)benzoic acid==
		+	<StructureSection load='8taw' size='340' side='right'caption='[[8taw]], [[Resolution\|resolution]] 1.73Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[8taw]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Rhodopseudomonas_palustris_HaA2 Rhodopseudomonas palustris HaA2]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=8TAW OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=8TAW FirstGlance]. <br>
		+	</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models\|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution\|Resolution]] 1.73Å</td></tr>
		+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene>, <scene name='pdbligand=PQS:4-(pyridin-2-yl)benzoic+acid'>PQS</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=8taw FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=8taw OCA], [https://pdbe.org/8taw PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=8taw RCSB], [https://www.ebi.ac.uk/pdbsum/8taw PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=8taw ProSAT]</span></td></tr>
		+	</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/Q2IU02_RHOP2 Q2IU02_RHOP2]
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	The cytochrome P450 enzymes (CYPs) are heme-thiolate monooxygenases that catalyse the insertion of an oxygen atom into the C-H bonds of organic molecules. In most CYPs, the activation of dioxygen by the heme is aided by an acid-alcohol pair of residues located in the I-helix of the enzyme. Mutation of the threonine residue of this acid-alcohol pair of CYP199A4, from the bacterium Rhodospeudomonas palustris HaA2, to a glutamate residue induces peroxygenase activity. In the X-ray crystal structures of this variant an interaction of the glutamate side chain and the distal aqua ligand of the heme was observed and this results in this ligand not being readily displaced in the peroxygenase mutant on the addition of substrate. Here we use a range of bulky hydrophobic and nitrogen donor containing ligands in an attempt to displace the distal aqua ligand of the T252E mutant of CYP199A4. Ligand binding was assessed by UV-visible absorbance spectroscopy, native mass spectrometry, electron paramagnetic resonance and X-ray crystallography. None of the ligands tested, even the nitrogen donor ligands which bind directly to the iron in the wild-type enzyme, resulted in displacement of the aqua ligand. Therefore, modification of the I-helix threonine residue to a glutamate residue results in a significant strengthening of the ferric distal aqua ligand. This ligand was not displaced using any of the ligands during this study and this provides a rationale as to why this mutant can shutdown the monooxygenase pathway of this enzyme and switch to peroxygenase activity.

-	~~Authors~~:	+	Characterisation of the heme aqua-ligand coordination environment in an engineered peroxygenase cytochrome P450 variant.,Podgorski MN, Lee JHZ, Harbort JS, Nguyen GTH, Doherty DZ, Donald WA, Harmer JR, Bruning JB, Bell SG J Inorg Biochem. 2023 Oct 4;249:112391. doi: 10.1016/j.jinorgbio.2023.112391. PMID:37837941<ref>PMID:37837941</ref>

-	~~Description~~:	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	[[Category: ~~Unreleased~~ Structures]]	+	</div>
		+	<div class="pdbe-citations 8taw" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Large Structures]]
		+	[[Category: Rhodopseudomonas palustris HaA2]]
		+	[[Category: Bell SG]]
		+	[[Category: Podgorski MN]]

OCA at 09:21, 2 August 2023

OCA — Wed, 02 Aug 2023 09:21:34 GMT

←Older revision		Revision as of 09:21, 2 August 2023
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	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 8taw is ON HOLD	+	The entry 8taw is ON HOLD until Paper Publication

	Authors:		Authors:

OCA: Protected "8taw" [edit=sysop:move=sysop]

OCA — Wed, 05 Jul 2023 04:29:06 GMT

Protected "8taw" [edit=sysop:move=sysop]

←Older revision

Revision as of 04:29, 5 July 2023

OCA: New page: '''Unreleased structure''' The entry 8taw is ON HOLD Authors: Description: Category: Unreleased Structures

OCA — Wed, 05 Jul 2023 04:29:05 GMT

New page: '''Unreleased structure''' The entry 8taw is ON HOLD Authors: Description: Category: Unreleased Structures

New page

'''Unreleased structure'''

The entry 8taw is ON HOLD

Authors:

Description:
[[Category: Unreleased Structures]]

8taw - Revision history

OCA at 07:09, 25 October 2023

OCA at 09:21, 2 August 2023

OCA: Protected "8taw" [edit=sysop:move=sysop]

OCA: New page: '''Unreleased structure''' The entry 8taw is ON HOLD Authors: Description: Category: Unreleased Structures