6z69 - Revision history

OCA at 13:42, 24 January 2024

OCA — Wed, 24 Jan 2024 13:42:42 GMT

←Older revision		Revision as of 13:42, 24 January 2024
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	<StructureSection load='6z69' size='340' side='right'caption='[[6z69]], [[Resolution\|resolution]] 1.81Å' scene=''>		<StructureSection load='6z69' size='340' side='right'caption='[[6z69]], [[Resolution\|resolution]] 1.81Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6z69]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/~~Atcc_19285 Atcc 19285~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6Z69 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6Z69 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6z69]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Pseudonocardia_thermophila Pseudonocardia thermophila]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6Z69 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6Z69 FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=4MU:7-HYDROXY-4-METHYL-2H-CHROMEN-2-ONE'>4MU</scene>, <scene name='pdbligand=HEE:N-HEXYLPHOSPHONATE+ETHYL+ESTER'>HEE</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</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]] 1.81Å</td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">SAMN05443637_118146 ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1848 ATCC 19285])</td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=4MU:7-HYDROXY-4-METHYL-2H-CHROMEN-2-ONE'>4MU</scene>, <scene name='pdbligand=HEE:N-HEXYLPHOSPHONATE+ETHYL+ESTER'>HEE</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</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=6z69 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6z69 OCA], [https://pdbe.org/6z69 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6z69 RCSB], [https://www.ebi.ac.uk/pdbsum/6z69 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6z69 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=6z69 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6z69 OCA], [https://pdbe.org/6z69 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6z69 RCSB], [https://www.ebi.ac.uk/pdbsum/6z69 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6z69 ProSAT]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/A0A1M6Y2K1_PSETH A0A1M6Y2K1_PSETH]
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
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	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: Atcc 19285]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Bollinger, A]]	+	[[Category: Pseudonocardia thermophila]]
-	[[Category: Hoeppner, A]]	+	[[Category: Bollinger A]]
-	[[Category: Jaeger, K E]]	+	[[Category: Hoeppner A]]
-	[[Category: Kobus, S]]	+	[[Category: Jaeger K-E]]
-	[[Category: Smits~~, S H.J~~]]	+	[[Category: Kobus S]]
-	[[Category: Thies, S]]	+	[[Category: Smits SHJ]]
-	~~[[Category: Alpha/beta-fold hydrolase]]~~	+	[[Category: Thies S]]
-	~~[[Category: Esterase]]~~	+
-	~~[[Category: Hydrolase]]~~	+
-	~~[[Category: Inhibitor-bound]]~~	+
-	~~[[Category: Metagenome]]~~	+
-	~~[[Category: Substrate promiscuity~~]]	+

OCA at 14:53, 17 June 2021

OCA — Thu, 17 Jun 2021 14:53:36 GMT

←Older revision		Revision as of 14:53, 17 June 2021
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	==A novel metagenomic alpha/beta-fold esterase==		==A novel metagenomic alpha/beta-fold esterase==
-	<StructureSection load='6z69' size='340' side='right'caption='[[6z69]]' scene=''>	+	<StructureSection load='6z69' size='340' side='right'caption='[[6z69]], [[Resolution\|resolution]] 1.81Å' 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=6Z69 OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://proteopedia.org/fgij/fg.htm?mol=6Z69 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6z69]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Atcc_19285 Atcc 19285]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6Z69 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6Z69 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=6z69 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6z69 OCA], [~~http~~://pdbe.org/6z69 PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=6z69 RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/6z69 PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=6z69 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=4MU:7-HYDROXY-4-METHYL-2H-CHROMEN-2-ONE'>4MU</scene>, <scene name='pdbligand=HEE:N-HEXYLPHOSPHONATE+ETHYL+ESTER'>HEE</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene></td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">SAMN05443637_118146 ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1848 ATCC 19285])</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=6z69 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6z69 OCA], [https://pdbe.org/6z69 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6z69 RCSB], [https://www.ebi.ac.uk/pdbsum/6z69 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6z69 ProSAT]</span></td></tr>
	</table>		</table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Bacterial lipolytic enzymes of family IV are homologs of the mammalian hormone-sensitive lipases (HSL) and have been successfully used for various biotechnological applications. The broad substrate specificity and ability for enantio-, regio-, and stereoselective hydrolysis are remarkable features of enzymes from this class. Many crystal structures are available for esterases and lipases, but structures of enzyme-substrate or enzyme-inhibitor complexes are less frequent although important to understand the molecular basis of enzyme substrate interaction and to rationalize biochemical enzyme characteristics. Here, we report on the structures of a novel family IV esterase isolated from a metagenomic screen which shows a broad substrate specificity. We solved the crystal structures in the apo form and with a bound substrate analogue at 1.35 A and 1.81 A resolution, respectively. This enzyme named PtEst1 hydrolyzed more than 60 out 96 structurally different ester substrates thus being substrate promiscuous. Its broad substrate specificity is in accord with a large active site cavity, which is covered by an alpha-helical cap domain. The substrate analogue methyl 4-methylumbelliferyl hexylphosphonate was rapidly hydrolyzed by the enzyme leading to a complete inactivation caused by covalent binding of phosphinic acid to the catalytic serine. Interestingly, the alcohol leaving group 4-methylumbelliferone was found remaining in the active site cavity and additionally, a complete inhibitor molecule was found at the cap domain next to the entrance of the substrate tunnel. This unique situation allowed gaining valuable insights into the role of the cap domain for enzyme-substrate interaction of esterases belonging to family IV.
		+
		+	Crystal structures of a novel family IV esterase in free and substrate-bound form.,Hoppner A, Bollinger A, Kobus S, Thies S, Coscolin C, Ferrer M, Jaeger KE, Smits SHJ FEBS J. 2020 Dec 20. doi: 10.1111/febs.15680. PMID:33342083<ref>PMID:33342083</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 6z69" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Atcc 19285]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Bollinger A]]	+	[[Category: Bollinger, A]]
-	[[Category: Hoeppner A]]	+	[[Category: Hoeppner, A]]
-	[[Category: Jaeger K-E]]	+	[[Category: Jaeger, K E]]
-	[[Category: Kobus S]]	+	[[Category: Kobus, S]]
-	[[Category: Smits ~~SHJ~~]]	+	[[Category: Smits, S H.J]]
-	[[Category: Thies S]]	+	[[Category: Thies, S]]
		+	[[Category: Alpha/beta-fold hydrolase]]
		+	[[Category: Esterase]]
		+	[[Category: Hydrolase]]
		+	[[Category: Inhibitor-bound]]
		+	[[Category: Metagenome]]
		+	[[Category: Substrate promiscuity]]

OCA at 06:45, 30 December 2020

OCA — Wed, 30 Dec 2020 06:45:47 GMT

←Older revision		Revision as of 06:45, 30 December 2020
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-	'''Unreleased structure'''

-	~~The entry~~ 6z69 ~~is ON HOLD until Paper Publication~~	+	==A novel metagenomic alpha/beta-fold esterase==
-		+	<StructureSection load='6z69' size='340' side='right'caption='[[6z69]]' scene=''>
-	~~Authors~~: ~~Bollinger, A~~.~~, Thies, S~~., ~~Hoeppner, A~~., ~~Kobus, S~~., ~~Jaeger, K~~.-E., ~~Smits, S~~.H.J.	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6Z69 OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=6Z69 FirstGlance]. <br>
-	~~Description~~: ~~A novel metagenomic alpha~~/~~beta~~-~~fold esterase~~	+	</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=6z69 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6z69 OCA], [http://pdbe.org/6z69 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6z69 RCSB], [http://www.ebi.ac.uk/pdbsum/6z69 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6z69 ProSAT]</span></td></tr>
-	[[Category: ~~Unreleased~~ Structures]]	+	</table>
-	[[Category: ~~Hoeppner,~~ A]]	+	__TOC__
-	[[Category: ~~Smits, S.H.J~~]]	+	</StructureSection>
-	[[Category: ~~Kobus, S~~]]	+	[[Category: Large Structures]]
-	[[Category: ~~Bollinger, A~~]]	+	[[Category: Bollinger A]]
-	[[Category: ~~Thies, S~~]]	+	[[Category: Hoeppner A]]
-	[[Category: ~~Jaeger, K.-E~~]]	+	[[Category: Jaeger K-E]]
		+	[[Category: Kobus S]]
		+	[[Category: Smits SHJ]]
		+	[[Category: Thies S]]

OCA at 08:48, 17 June 2020

OCA — Wed, 17 Jun 2020 08:48:27 GMT

←Older revision		Revision as of 08:48, 17 June 2020
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 6z69 is ON HOLD	+	The entry 6z69 is ON HOLD until Paper Publication

	Authors: Bollinger, A., Thies, S., Hoeppner, A., Kobus, S., Jaeger, K.-E., Smits, S.H.J.		Authors: Bollinger, A., Thies, S., Hoeppner, A., Kobus, S., Jaeger, K.-E., Smits, S.H.J.
Line 7:		Line 7:
	Description: A novel metagenomic alpha/beta-fold esterase		Description: A novel metagenomic alpha/beta-fold esterase
	[[Category: Unreleased Structures]]		[[Category: Unreleased Structures]]
		+	[[Category: Hoeppner, A]]
	[[Category: Smits, S.H.J]]		[[Category: Smits, S.H.J]]
	[[Category: Kobus, S]]		[[Category: Kobus, S]]
Line 12:		Line 13:
	[[Category: Thies, S]]		[[Category: Thies, S]]
	[[Category: Jaeger, K.-E]]		[[Category: Jaeger, K.-E]]
-	[[Category: Hoeppner, A]]

OCA: Protected "6z69" [edit=sysop:move=sysop]

OCA — Wed, 03 Jun 2020 05:21:51 GMT

Protected "6z69" [edit=sysop:move=sysop]

←Older revision

Revision as of 05:21, 3 June 2020

OCA: New page: '''Unreleased structure''' The entry 6z69 is ON HOLD Authors: Bollinger, A., Thies, S., Hoeppner, A., Kobus, S., Jaeger, K.-E., Smits, S.H.J. Description: A novel metagenomic alpha/bet...

OCA — Wed, 03 Jun 2020 05:21:50 GMT

New page: '''Unreleased structure''' The entry 6z69 is ON HOLD Authors: Bollinger, A., Thies, S., Hoeppner, A., Kobus, S., Jaeger, K.-E., Smits, S.H.J. Description: A novel metagenomic alpha/bet...

New page

'''Unreleased structure'''

The entry 6z69 is ON HOLD

Authors: Bollinger, A., Thies, S., Hoeppner, A., Kobus, S., Jaeger, K.-E., Smits, S.H.J.

Description: A novel metagenomic alpha/beta-fold esterase
[[Category: Unreleased Structures]]
[[Category: Smits, S.H.J]]
[[Category: Kobus, S]]
[[Category: Bollinger, A]]
[[Category: Thies, S]]
[[Category: Jaeger, K.-E]]
[[Category: Hoeppner, A]]