7kje - Revision history

OCA at 15:26, 18 October 2023

OCA — Wed, 18 Oct 2023 15:26:09 GMT

←Older revision		Revision as of 15:26, 18 October 2023
Line 3:		Line 3:
	<StructureSection load='7kje' size='340' side='right'caption='[[7kje]], [[Resolution\|resolution]] 1.60Å' scene=''>		<StructureSection load='7kje' size='340' side='right'caption='[[7kje]], [[Resolution\|resolution]] 1.60Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[7kje]] is a 1 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/~~"actinomyces_coelicolor"_(muller_1908)_lieske_1921 "actinomyces~~ coelicolor~~" (muller 1908) lieske 1921~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7KJE OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://proteopedia.org/fgij/fg.htm?mol=7KJE FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[7kje]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Streptomyces_coelicolor Streptomyces coelicolor]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7KJE OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7KJE FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=NRD:(6-AZANYL-1-OXIDANYL-1-PHOSPHONO-HEXYL)PHOSPHONIC+ACID'>NRD</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</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]] 1.6Å</td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">HCU77_26465 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1902 "Actinomyces coelicolor" (Muller 1908) Lieske 1921])</td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=NRD:(6-AZANYL-1-OXIDANYL-1-PHOSPHONO-HEXYL)PHOSPHONIC+ACID'>NRD</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
-	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Epi-isozizaene_synthase Epi-isozizaene synthase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=4.2.3.37 4.2.3.37] </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=7kje FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7kje OCA], [https://pdbe.org/7kje PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7kje RCSB], [https://www.ebi.ac.uk/pdbsum/7kje PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7kje ProSAT]</span></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=7kje FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7kje OCA], [~~http~~://pdbe.org/7kje PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=7kje RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/7kje PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=7kje ProSAT]</span></td></tr>	+
	</table>		</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/CYC1_STRCO CYC1_STRCO] Catalyzes the cyclization of farnesyl diphosphate (FPP) to the sesquiterpene epi-isozizaene.
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 22:		Line 23:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: Epi-isozizaene synthase]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: ~~Christianson, D W~~]]	+	[[Category: Streptomyces coelicolor]]
-	[[Category: ~~Gardner, S~~]]	+	[[Category: Christianson DW]]
-	[[Category: ~~Ronnebaum, T A~~]]	+	[[Category: Gardner S]]
-	[[Category: ~~Bisphosphonate inhibitor]]~~	+	[[Category: Ronnebaum TA]]
-	~~[[Category: Complex]]~~	+
-	~~[[Category: Lyase]]~~	+
-	~~[[Category: Risedronate]]~~	+
-	~~[[Category: Terpene cyclase~~]]	+

OCA at 07:07, 30 December 2020

OCA — Wed, 30 Dec 2020 07:07:24 GMT

←Older revision		Revision as of 07:07, 30 December 2020
Line 1:		Line 1:

	==F96S epi-isozizaene synthase: complex with 3 Mg2+ and neridronate==		==F96S epi-isozizaene synthase: complex with 3 Mg2+ and neridronate==
-	<StructureSection load='7kje' size='340' side='right'caption='[[7kje]]' scene=''>	+	<StructureSection load='7kje' size='340' side='right'caption='[[7kje]], [[Resolution\|resolution]] 1.60Å' 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=7KJE OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=7KJE FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[7kje]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/"actinomyces_coelicolor"_(muller_1908)_lieske_1921 "actinomyces coelicolor" (muller 1908) lieske 1921]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7KJE OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=7KJE 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=7kje FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7kje OCA], [http://pdbe.org/7kje PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=7kje RCSB], [http://www.ebi.ac.uk/pdbsum/7kje PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=7kje 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=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=NRD:(6-AZANYL-1-OXIDANYL-1-PHOSPHONO-HEXYL)PHOSPHONIC+ACID'>NRD</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">HCU77_26465 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1902 "Actinomyces coelicolor" (Muller 1908) Lieske 1921])</td></tr>
		+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Epi-isozizaene_synthase Epi-isozizaene synthase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=4.2.3.37 4.2.3.37] </span></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=7kje FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7kje OCA], [http://pdbe.org/7kje PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=7kje RCSB], [http://www.ebi.ac.uk/pdbsum/7kje PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=7kje ProSAT]</span></td></tr>
	</table>		</table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	The sesquiterpene cyclase epi-isozizaene synthase (EIZS) catalyzes the cyclization of farnesyl diphosphate to form the tricyclic precursor of the antibiotic albaflavenone. The hydrophobic active site is largely defined by aromatic residues that direct a multistep reaction sequence through multiple carbocation intermediates. The previous substitution of polar residues for a key aromatic residue, F96, converts EIZS into a high-fidelity sesquisabinene synthase: the F96S, F96M, and F96Q variants generate 78%, 91%, and 97% sesquisabinene A, respectively. Here, we report high-resolution X-ray crystal structures of two of these reprogrammed cyclases. The structures of the F96M EIZS-Mg(2+)3-risedronate and F96M EIZS-Mg(2+)3-inorganic pyrophosphate-benzyltriethylammonium cation complexes reveal structural changes in the F96 aromatic cluster that redirect the cyclization pathway leading from the bisabolyl carbocation intermediate in catalysis. The structure of the F96S EIZS-Mg(2+)3-neridronate complex reveals a partially occupied inhibitor and an enzyme active site caught in transition between open and closed states. Finally, three structures of wild-type EIZS complexed with the bisphosphonate inhibitors neridronate, pamidronate, and risedronate provide a foundation for understanding binding differences between wild-type and variant enzymes. These structures provide new insight regarding active site flexibility, particularly with regard to the potential for subtle expansion and contraction to accommodate ligands of varying sizes as well as bound water molecules. Additionally, these structures highlight the importance of conformational changes in the F96 aromatic cluster that could influence cation-pi interactions with carbocation intermediates in catalysis.
		+
		+	An Aromatic Cluster in the Active Site of epi-Isozizaene Synthase Is an Electrostatic Toggle for Divergent Terpene Cyclization Pathways.,Ronnebaum TA, Gardner SM, Christianson DW Biochemistry. 2020 Dec 3. doi: 10.1021/acs.biochem.0c00876. PMID:33270439<ref>PMID:33270439</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 7kje" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Epi-isozizaene synthase]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Christianson DW]]	+	[[Category: Christianson, D W]]
-	[[Category: Gardner S]]	+	[[Category: Gardner, S]]
-	[[Category: Ronnebaum TA]]	+	[[Category: Ronnebaum, T A]]
		+	[[Category: Bisphosphonate inhibitor]]
		+	[[Category: Complex]]
		+	[[Category: Lyase]]
		+	[[Category: Risedronate]]
		+	[[Category: Terpene cyclase]]

OCA at 12:37, 16 December 2020

OCA — Wed, 16 Dec 2020 12:37:00 GMT

←Older revision		Revision as of 12:37, 16 December 2020
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 7kje ~~is ON HOLD until Paper Publication~~	+	==F96S epi-isozizaene synthase: complex with 3 Mg2+ and neridronate==
-		+	<StructureSection load='7kje' size='340' side='right'caption='[[7kje]]' scene=''>
-	~~Authors~~: ~~Ronnebaum~~, T.A., ~~Gardner~~, S., ~~Christianson~~, D.W.	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7KJE OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=7KJE FirstGlance]. <br>
-	~~Description: F96S epi-isozizaene synthase: complex with 3 Mg2+ and neridronate~~	+	</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=7kje FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7kje OCA], [http://pdbe.org/7kje PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=7kje RCSB], [http://www.ebi.ac.uk/pdbsum/7kje PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=7kje ProSAT]</span></td></tr>
-	[[Category: ~~Unreleased~~ Structures]]	+	</table>
-	[[Category: ~~Gardner, S~~]]	+	__TOC__
-	[[Category: ~~Ronnebaum, T.A~~]]	+	</StructureSection>
-	[[Category: ~~Christianson, D.W~~]]	+	[[Category: Large Structures]]
		+	[[Category: Christianson DW]]
		+	[[Category: Gardner S]]
		+	[[Category: Ronnebaum TA]]

OCA at 05:30, 25 November 2020

OCA — Wed, 25 Nov 2020 05:30:52 GMT

←Older revision		Revision as of 05:30, 25 November 2020
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

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

	Authors: Ronnebaum, T.A., Gardner, S., Christianson, D.W.		Authors: Ronnebaum, T.A., Gardner, S., Christianson, D.W.

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

OCA — Wed, 04 Nov 2020 05:38:33 GMT

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

←Older revision

Revision as of 05:38, 4 November 2020

OCA: New page: '''Unreleased structure''' The entry 7kje is ON HOLD Authors: Ronnebaum, T.A., Gardner, S., Christianson, D.W. Description: F96S epi-isozizaene synthase: complex with 3 Mg2+ and neridr...

OCA — Wed, 04 Nov 2020 05:38:32 GMT

New page: '''Unreleased structure''' The entry 7kje is ON HOLD Authors: Ronnebaum, T.A., Gardner, S., Christianson, D.W. Description: F96S epi-isozizaene synthase: complex with 3 Mg2+ and neridr...

New page

'''Unreleased structure'''

The entry 7kje is ON HOLD

Authors: Ronnebaum, T.A., Gardner, S., Christianson, D.W.

Description: F96S epi-isozizaene synthase: complex with 3 Mg2+ and neridronate
[[Category: Unreleased Structures]]
[[Category: Gardner, S]]
[[Category: Ronnebaum, T.A]]
[[Category: Christianson, D.W]]