7bqk - Revision history

OCA at 15:26, 29 November 2023

OCA — Wed, 29 Nov 2023 15:26:08 GMT

←Older revision		Revision as of 15:26, 29 November 2023
Line 1:		Line 1:

	==The structure of PdxI in complex with its substrate analogue==		==The structure of PdxI in complex with its substrate analogue==
-	<StructureSection load='7bqk' size='340' side='right'caption='[[7bqk]]' scene=''>	+	<StructureSection load='7bqk' size='340' side='right'caption='[[7bqk]], [[Resolution\|resolution]] 1.99Å' 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=7BQK OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://proteopedia.org/fgij/fg.htm?mol=7BQK FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[7bqk]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Aspergillus_bombycis Aspergillus bombycis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7BQK OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7BQK FirstGlance]. <br>
-	</td></tr><tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[~~http~~://proteopedia.org/fgij/fg.htm?mol=7bqk FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7bqk OCA], [~~http~~://pdbe.org/7bqk PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=7bqk RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/7bqk PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=7bqk ProSAT]</span></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]] 1.99Å</td></tr>
		+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=F56:3-[(E,2S,4S)-2,4-dimethyloct-6-enoyl]-4-oxidanyl-1H-pyridin-2-one'>F56</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</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=7bqk FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7bqk OCA], [https://pdbe.org/7bqk PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7bqk RCSB], [https://www.ebi.ac.uk/pdbsum/7bqk PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7bqk ProSAT]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/A0A1F8A906_9EURO A0A1F8A906_9EURO]
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	An ongoing challenge in chemical research is to design catalysts that select the outcomes of the reactions of complex molecules. Chemists rely on organocatalysts or transition metal catalysts to control stereoselectivity, regioselectivity and periselectivity (selectivity among possible pericyclic reactions). Nature achieves these types of selectivity with a variety of enzymes such as the recently discovered pericyclases-a family of enzymes that catalyse pericyclic reactions(1). Most characterized enzymatic pericyclic reactions have been cycloadditions, and it has been difficult to rationalize how the observed selectivities are achieved(2-13). Here we report the discovery of two homologous groups of pericyclases that catalyse distinct reactions: one group catalyses an Alder-ene reaction that was, to our knowledge, previously unknown in biology; the second catalyses a stereoselective hetero-Diels-Alder reaction. Guided by computational studies, we have rationalized the observed differences in reactivities and designed mutant enzymes that reverse periselectivities from Alder-ene to hetero-Diels-Alder and vice versa. A combination of in vitro biochemical characterizations, computational studies, enzyme co-crystal structures, and mutational studies illustrate how high regioselectivity and periselectivity are achieved in nearly identical active sites.
		+
		+	An enzymatic Alder-ene reaction.,Ohashi M, Jamieson CS, Cai Y, Tan D, Kanayama D, Tang MC, Anthony SM, Chari JV, Barber JS, Picazo E, Kakule TB, Cao S, Garg NK, Zhou J, Houk KN, Tang Y Nature. 2020 Oct;586(7827):64-69. doi: 10.1038/s41586-020-2743-5. Epub 2020 Sep, 30. PMID:32999480<ref>PMID:32999480</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 7bqk" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Aspergillus bombycis]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
	[[Category: Cai YJ]]		[[Category: Cai YJ]]

OCA at 05:51, 14 October 2020

OCA — Wed, 14 Oct 2020 05:51:36 GMT

←Older revision		Revision as of 05:51, 14 October 2020
Line 1:		Line 1:
-	'''Unreleased structure'''

-	The ~~entry~~ 7bqk ~~is ON HOLD until Paper Publication~~	+	==The structure of PdxI in complex with its substrate analogue==
-		+	<StructureSection load='7bqk' size='340' side='right'caption='[[7bqk]]' scene=''>
-	~~Authors~~: ~~Cai~~, Y.J., ~~Ohashi~~, M., ~~Zhou, J~~.H., ~~Tang, Y~~.	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7BQK OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=7BQK FirstGlance]. <br>
-	~~Description: The structure of PdxI in complex with its substrate analogue~~	+	</td></tr><tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://proteopedia.org/fgij/fg.htm?mol=7bqk FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7bqk OCA], [http://pdbe.org/7bqk PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=7bqk RCSB], [http://www.ebi.ac.uk/pdbsum/7bqk PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=7bqk ProSAT]</span></td></tr>
-	[[Category: ~~Unreleased~~ Structures]]	+	</table>
-	[[Category: ~~Tang, Y~~]]	+	__TOC__
-	[[Category: ~~Zhou, J.H~~]]	+	</StructureSection>
-	[[Category: ~~Ohashi, M~~]]	+	[[Category: Large Structures]]
-	[[Category: ~~Cai, Y.J~~]]	+	[[Category: Cai YJ]]
		+	[[Category: Ohashi M]]
		+	[[Category: Tang Y]]
		+	[[Category: Zhou JH]]

OCA at 05:48, 8 April 2020

OCA — Wed, 08 Apr 2020 05:48:19 GMT

←Older revision		Revision as of 05:48, 8 April 2020
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

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

	Authors: Cai, Y.J., Ohashi, M., Zhou, J.H., Tang, Y.		Authors: Cai, Y.J., Ohashi, M., Zhou, J.H., Tang, Y.

-	Description: ~~native~~ structure of PdxI	+	Description: The structure of PdxI in complex with its substrate analogue
	[[Category: Unreleased Structures]]		[[Category: Unreleased Structures]]
	[[Category: Tang, Y]]		[[Category: Tang, Y]]

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

OCA — Wed, 01 Apr 2020 07:55:16 GMT

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

←Older revision

Revision as of 07:55, 1 April 2020

OCA: New page: '''Unreleased structure''' The entry 7bqk is ON HOLD Authors: Cai, Y.J., Ohashi, M., Zhou, J.H., Tang, Y. Description: native structure of PdxI Category: Unreleased Structures [[Ca...

OCA — Wed, 01 Apr 2020 07:55:15 GMT

New page: '''Unreleased structure''' The entry 7bqk is ON HOLD Authors: Cai, Y.J., Ohashi, M., Zhou, J.H., Tang, Y. Description: native structure of PdxI Category: Unreleased Structures [[Ca...

New page

'''Unreleased structure'''

The entry 7bqk is ON HOLD

Authors: Cai, Y.J., Ohashi, M., Zhou, J.H., Tang, Y.

Description: native structure of PdxI
[[Category: Unreleased Structures]]
[[Category: Tang, Y]]
[[Category: Zhou, J.H]]
[[Category: Ohashi, M]]
[[Category: Cai, Y.J]]