7yde - Revision history

OCA at 18:08, 29 November 2023

OCA — Wed, 29 Nov 2023 18:08:33 GMT

←Older revision		Revision as of 18:08, 29 November 2023
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	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[7yde]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Priestia_megaterium_NBRC_15308_=_ATCC_14581 Priestia megaterium NBRC 15308 = ATCC 14581]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7YDE OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7YDE FirstGlance]. <br>		<table><tr><td colspan='2'>[[7yde]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Priestia_megaterium_NBRC_15308_=_ATCC_14581 Priestia megaterium NBRC 15308 = ATCC 14581]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7YDE OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7YDE FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene>, <scene name='pdbligand=HOA:HYDROXYAMINE'>HOA</scene>, <scene name='pdbligand=IC6:(2S)-2-(6-imidazol-1-ylhexanoylamino)-3-phenyl-propanoic+acid'>IC6</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]] 1.789Å</td></tr>
		+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene>, <scene name='pdbligand=HOA:HYDROXYAMINE'>HOA</scene>, <scene name='pdbligand=IC6:(2S)-2-(6-imidazol-1-ylhexanoylamino)-3-phenyl-propanoic+acid'>IC6</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=7yde FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7yde OCA], [https://pdbe.org/7yde PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7yde RCSB], [https://www.ebi.ac.uk/pdbsum/7yde PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7yde 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=7yde FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7yde OCA], [https://pdbe.org/7yde PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7yde RCSB], [https://www.ebi.ac.uk/pdbsum/7yde PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7yde ProSAT]</span></td></tr>
	</table>		</table>

OCA at 03:59, 25 May 2023

OCA — Thu, 25 May 2023 03:59:35 GMT

←Older revision		Revision as of 03:59, 25 May 2023
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-	'''Unreleased structure'''

-	~~The entry~~ 7yde is ~~ON HOLD until 2024~~-07-04	+	==Crystal structure of the P450 BM3 heme domain mutant F87T/T268V/I263V in complex with N-imidazolyl-hexanoyl-L-phenylalanine and hydroxylamine==
		+	<StructureSection load='7yde' size='340' side='right'caption='[[7yde]], [[Resolution\|resolution]] 1.79Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[7yde]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Priestia_megaterium_NBRC_15308_=_ATCC_14581 Priestia megaterium NBRC 15308 = ATCC 14581]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7YDE OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7YDE FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene>, <scene name='pdbligand=HOA:HYDROXYAMINE'>HOA</scene>, <scene name='pdbligand=IC6:(2S)-2-(6-imidazol-1-ylhexanoylamino)-3-phenyl-propanoic+acid'>IC6</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=7yde FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7yde OCA], [https://pdbe.org/7yde PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7yde RCSB], [https://www.ebi.ac.uk/pdbsum/7yde PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7yde ProSAT]</span></td></tr>
		+	</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/CPXB_PRIM2 CPXB_PRIM2] Functions as a fatty acid monooxygenase (PubMed:3106359, PubMed:1727637, PubMed:16566047, PubMed:7578081, PubMed:11695892, PubMed:14653735, PubMed:16403573, PubMed:18004886, PubMed:17077084, PubMed:17868686, PubMed:18298086, PubMed:18619466, PubMed:18721129, PubMed:19492389, PubMed:20180779, PubMed:21110374, PubMed:21875028). Catalyzes hydroxylation of fatty acids at omega-1, omega-2 and omega-3 positions (PubMed:1727637, PubMed:21875028). Shows activity toward medium and long-chain fatty acids, with optimum chain lengths of 12, 14 and 16 carbons (lauric, myristic, and palmitic acids). Able to metabolize some of these primary metabolites to secondary and tertiary products (PubMed:1727637). Marginal activity towards short chain lengths of 8-10 carbons (PubMed:1727637, PubMed:18619466). Hydroxylates highly branched fatty acids, which play an essential role in membrane fluidity regulation (PubMed:16566047). Also displays a NADPH-dependent reductase activity in the C-terminal domain, which allows electron transfer from NADPH to the heme iron of the cytochrome P450 N-terminal domain (PubMed:3106359, PubMed:1727637, PubMed:16566047, PubMed:7578081, PubMed:11695892, PubMed:14653735, PubMed:16403573, PubMed:18004886, PubMed:17077084, PubMed:17868686, PubMed:18298086, PubMed:18619466, PubMed:18721129, PubMed:19492389, PubMed:20180779, PubMed:21110374, PubMed:21875028). Involved in inactivation of quorum sensing signals of other competing bacteria by oxidazing efficiently acyl homoserine lactones (AHLs), molecules involved in quorum sensing signaling pathways, and their lactonolysis products acyl homoserines (AHs) (PubMed:18020460).<ref>PMID:11695892</ref> <ref>PMID:14653735</ref> <ref>PMID:16403573</ref> <ref>PMID:16566047</ref> <ref>PMID:17077084</ref> <ref>PMID:1727637</ref> <ref>PMID:17868686</ref> <ref>PMID:18004886</ref> <ref>PMID:18020460</ref> <ref>PMID:18298086</ref> <ref>PMID:18619466</ref> <ref>PMID:18721129</ref> <ref>PMID:19492389</ref> <ref>PMID:20180779</ref> <ref>PMID:21110374</ref> <ref>PMID:21875028</ref> <ref>PMID:3106359</ref> <ref>PMID:7578081</ref>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	It is a great challenge to optionally access diverse hydroxylation products from a given substrate bearing multiple reaction sites of sp(3) and sp(2) C-H bonds. Herein, we report the highly selective divergent hydroxylation of alkylbenzenes by an engineered P450 peroxygenase driven by a dual-functional small molecule (DFSM). Using combinations of various P450BM3 variants with DFSMs enabled access to more than half of all possible hydroxylated products from each substrate with excellent regioselectivity (up to >99 %), enantioselectivity (up to >99 % ee), and high total turnover numbers (up to 80963). Crystal structure analysis, molecular dynamic simulations, and theoretical calculations revealed that synergistic effects between exogenous DFSMs and the protein environment controlled regio- and enantioselectivity. This work has implications for exogenous-molecule-modulated enzymatic regiodivergent and enantioselective hydroxylation with potential applications in synthetic chemistry.

-	~~Authors: Dong, S~~., Chen, J., Jiang, Y., ~~Cong~~, Z., ~~Feng, Y~~.	+	Regiodivergent and Enantioselective Hydroxylation of C-H bonds by Synergistic Use of Protein Engineering and Exogenous Dual-Functional Small Molecules.,Chen J, Dong S, Fang W, Jiang Y, Chen Z, Qin X, Wang C, Zhou H, Jin L, Feng Y, Wang B, Cong Z Angew Chem Int Ed Engl. 2023 Jan 23;62(4):e202215088. doi: , 10.1002/anie.202215088. Epub 2022 Dec 14. PMID:36417593<ref>PMID:36417593</ref>

-	~~Description: Crystal structure~~ of the ~~P450 BM3 heme domain mutant F87T~~/~~T268V/I263V in complex with N-imidazolyl~~-~~hexanoyl~~-~~L-phenylalanine and hydroxylamine~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	[[Category: ~~Unreleased~~ Structures]]	+	</div>
-	[[Category: ~~Cong, Z~~]]	+	<div class="pdbe-citations 7yde" style="background-color:#fffaf0;"></div>
-	[[Category: ~~Dong, S~~]]	+	== References ==
-	[[Category: ~~Chen, J~~]]	+	<references/>
-	[[Category: Feng, Y]]	+	__TOC__
-	[[Category: Jiang, Y]]	+	</StructureSection>
		+	[[Category: Large Structures]]
		+	[[Category: Priestia megaterium NBRC 15308 = ATCC 14581]]
		+	[[Category: Chen J]]
		+	[[Category: Cong Z]]
		+	[[Category: Dong S]]
		+	[[Category: Feng Y]]
		+	[[Category: Jiang Y]]

OCA at 03:32, 25 August 2022

OCA — Thu, 25 Aug 2022 03:32:27 GMT

←Older revision		Revision as of 03:32, 25 August 2022
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 7yde is ON HOLD	+	The entry 7yde is ON HOLD until 2024-07-04

	Authors: Dong, S., Chen, J., Jiang, Y., Cong, Z., Feng, Y.		Authors: Dong, S., Chen, J., Jiang, Y., Cong, Z., Feng, Y.
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	Description: Crystal structure of the P450 BM3 heme domain mutant F87T/T268V/I263V in complex with N-imidazolyl-hexanoyl-L-phenylalanine and hydroxylamine		Description: Crystal structure of the P450 BM3 heme domain mutant F87T/T268V/I263V in complex with N-imidazolyl-hexanoyl-L-phenylalanine and hydroxylamine
	[[Category: Unreleased Structures]]		[[Category: Unreleased Structures]]
		+	[[Category: Cong, Z]]
	[[Category: Dong, S]]		[[Category: Dong, S]]
	[[Category: Chen, J]]		[[Category: Chen, J]]
-	[[Category: Cong, Z]]
	[[Category: Feng, Y]]		[[Category: Feng, Y]]
	[[Category: Jiang, Y]]		[[Category: Jiang, Y]]

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

OCA — Wed, 13 Jul 2022 04:00:52 GMT

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

←Older revision

Revision as of 04:00, 13 July 2022

OCA: New page: '''Unreleased structure''' The entry 7yde is ON HOLD Authors: Dong, S., Chen, J., Jiang, Y., Cong, Z., Feng, Y. Description: Crystal structure of the P450 BM3 heme domain mutant F87T/T...

OCA — Wed, 13 Jul 2022 04:00:51 GMT

New page: '''Unreleased structure''' The entry 7yde is ON HOLD Authors: Dong, S., Chen, J., Jiang, Y., Cong, Z., Feng, Y. Description: Crystal structure of the P450 BM3 heme domain mutant F87T/T...

New page

'''Unreleased structure'''

The entry 7yde is ON HOLD

Authors: Dong, S., Chen, J., Jiang, Y., Cong, Z., Feng, Y.

Description: Crystal structure of the P450 BM3 heme domain mutant F87T/T268V/I263V in complex with N-imidazolyl-hexanoyl-L-phenylalanine and hydroxylamine
[[Category: Unreleased Structures]]
[[Category: Dong, S]]
[[Category: Chen, J]]
[[Category: Cong, Z]]
[[Category: Feng, Y]]
[[Category: Jiang, Y]]