5o7g - Revision history

OCA at 19:10, 29 November 2023

2023-11-29T19:10:29Z

← Older revision		Revision as of 19:10, 29 November 2023
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	==The crystal structure of a highly thermostable carboxyl esterase from Bacillus coagulans==		==The crystal structure of a highly thermostable carboxyl esterase from Bacillus coagulans==
	<StructureSection load='5o7g' size='340' side='right' caption='[[5o7g]], [[Resolution\|resolution]] 1.90Å' scene=''>		<StructureSection load='5o7g' size='340' side='right'caption='[[5o7g]], [[Resolution\|resolution]] 1.90Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[5o7g]] is a 1 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/~~Bacillus_coagulans_atcc_7050 Bacillus~~ coagulans ~~atcc~~ 7050]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5O7G OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=5O7G FirstGlance]. <br>		<table><tr><td colspan='2'>[[5o7g]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Weizmannia_coagulans_DSM_1_=_ATCC_7050 Weizmannia coagulans DSM 1 = ATCC 7050]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5O7G OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5O7G FirstGlance]. <br>
	</td></tr><tr id='~~gene~~'><td class="sblockLbl"><b>[[~~Gene~~\|~~Gene~~:]]</b></td><td class="sblockDat">~~BF29_2874 (~~[~~http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax~~.~~cgi?mode=Info&srchmode=5~~&~~id=1121088 Bacillus coagulans ATCC 7050])~~</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]] 1.9Å</td></tr>
	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=5o7g FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5o7g OCA], [~~http~~://pdbe.org/5o7g PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=5o7g RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/5o7g PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=5o7g 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=5o7g FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5o7g OCA], [https://pdbe.org/5o7g PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5o7g RCSB], [https://www.ebi.ac.uk/pdbsum/5o7g PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5o7g ProSAT]</span></td></tr>
	</table>		</table>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
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	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
	[[Category: ~~Bacillus coagulans atcc 7050~~]]		[[Category: Large Structures]]
	[[Category: ~~Gourlay, L J~~]]		[[Category: Weizmannia coagulans DSM 1 = ATCC 7050]]
	[[Category: ~~Alpha/beta hydrolase]]~~		[[Category: Gourlay LJ]]
	~~[[Category: Carboxyl esterase]]~~
	~~[[Category: Hydrolase]]~~
	~~[[Category: Lipase~~]]

OCA at 06:28, 18 April 2018

2018-04-18T06:28:17Z

← Older revision		Revision as of 06:28, 18 April 2018
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	<StructureSection load='5o7g' size='340' side='right' caption='[[5o7g]], [[Resolution\|resolution]] 1.90Å' scene=''>		<StructureSection load='5o7g' size='340' side='right' caption='[[5o7g]], [[Resolution\|resolution]] 1.90Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[5o7g]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5O7G OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5O7G FirstGlance]. <br>		<table><tr><td colspan='2'>[[5o7g]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Bacillus_coagulans_atcc_7050 Bacillus coagulans atcc 7050]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5O7G OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5O7G FirstGlance]. <br>
	</td></tr><tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5o7g FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5o7g OCA], [http://pdbe.org/5o7g PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5o7g RCSB], [http://www.ebi.ac.uk/pdbsum/5o7g PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5o7g ProSAT]</span></td></tr>		</td></tr><tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">BF29_2874 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1121088 Bacillus coagulans ATCC 7050])</td></tr>
			<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5o7g FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5o7g OCA], [http://pdbe.org/5o7g PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5o7g RCSB], [http://www.ebi.ac.uk/pdbsum/5o7g PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5o7g ProSAT]</span></td></tr>
	</table>		</table>
			<div style="background-color:#fffaf0;">
			== Publication Abstract from PubMed ==
			Microbial carboxylesterases are important biocatalysts that selectively hydrolyze an extensive range of esters. Here, we report the biochemical and structural characterization of an atypical carboxylesterase from Bacillus coagulans (BCE), endowed with high enantioselectivity towards different 1,2-O-isopropylideneglycerol (IPG or solketal) esters. BCE efficiently catalyzes the production of enantiopure (S)-IPG, a chiral building block for the synthesis of beta-blockers, glycerophospholipids and prostaglandins; efficient hydrolysis was observed up to 65 degrees C. To gain insight into the mechanistic bases of such enantioselectivity, we solved the crystal structures of BCE in apo- and glycerol-bound forms at resolutions of 1.9 A and 1.8 A, respectively. In silico docking studies on the BCE structure confirmed that IPG esters with small acyl chains (</=C6) were easily accommodated in the active site pocket, indicating that small conformational changes are necessary to accept longer substrates. Furthermore, docking studies suggested that enantioselectivity may be due to an improved stabilization of the tetrahedral reaction intermediate for the S-enantiomer. Contrary to the above functional data implying non-lipolytic functions, BCE displays a lipase-like 3D-structure that hosts a 'lid' domain capping the main entrance to the active site. In lipases the lid mediates catalysis through interfacial activation, a process that we did not observe for BCE. Overall, we present the functional-structural properties of an atypical carboxyl esterase that has non-lipase like functions, yet possesses a lipase-like 3D fold. Our data provide original enzymatic information in view of BCE applications as an inexpensive, efficient biocatalyst for the production of enantiopure (S)-IPG. This article is protected by copyright. All rights reserved.

			A stereospecific carboxyl esterase from Bacillus coagulans hosting non-lipase activity within a lipase-like fold.,De Vitis V, Nakhnoukh C, Pinto A, Contente ML, Barbiroli A, Milani M, Bolognesi M, Molinari F, Gourlay LJ, Romano D FEBS J. 2017 Dec 26. doi: 10.1111/febs.14368. PMID:29278448<ref>PMID:29278448</ref>

			From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
			</div>
			<div class="pdbe-citations 5o7g" style="background-color:#fffaf0;"></div>
			== References ==
			<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
			[[Category: Bacillus coagulans atcc 7050]]
	[[Category: Gourlay, L J]]		[[Category: Gourlay, L J]]
	[[Category: Alpha/beta hydrolase]]		[[Category: Alpha/beta hydrolase]]

OCA at 07:11, 6 December 2017

2017-12-06T07:11:44Z

← Older revision		Revision as of 07:11, 6 December 2017
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	~~'''Unreleased structure'''~~

	The ~~entry~~ 5o7g is ~~ON HOLD~~		==The crystal structure of a highly thermostable carboxyl esterase from Bacillus coagulans==
			<StructureSection load='5o7g' size='340' side='right' caption='[[5o7g]], [[Resolution\|resolution]] 1.90Å' scene=''>
	~~Authors~~:		== Structural highlights ==
			<table><tr><td colspan='2'>[[5o7g]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5O7G OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5O7G FirstGlance]. <br>
	~~Description~~:		</td></tr><tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5o7g FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5o7g OCA], [http://pdbe.org/5o7g PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5o7g RCSB], [http://www.ebi.ac.uk/pdbsum/5o7g PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5o7g ProSAT]</span></td></tr>
	[[Category: ~~Unreleased Structures~~]]		</table>
			__TOC__
			</StructureSection>
			[[Category: Gourlay, L J]]
			[[Category: Alpha/beta hydrolase]]
			[[Category: Carboxyl esterase]]
			[[Category: Hydrolase]]
			[[Category: Lipase]]

OCA: Protected "5o7g" [edit=sysop:move=sysop]

2017-09-27T12:06:51Z

Protected "5o7g" [edit=sysop:move=sysop]

← Older revision	Revision as of 12:06, 27 September 2017
(No difference)

OCA: New page: '''Unreleased structure''' The entry 5o7g is ON HOLD Authors: Description: Category: Unreleased Structures

2017-09-27T12:06:50Z

New page: '''Unreleased structure''' The entry 5o7g is ON HOLD Authors: Description: Category: Unreleased Structures

New page

'''Unreleased structure'''

The entry 5o7g is ON HOLD

Authors:

Description:
[[Category: Unreleased Structures]]