2wca - Revision history

OCA at 15:51, 13 December 2023

2023-12-13T15:51:33Z

← Older revision		Revision as of 15:51, 13 December 2023
Line 3:		Line 3:
	<StructureSection load='2wca' size='340' side='right'caption='[[2wca]], [[Resolution\|resolution]] 2.30Å' scene=''>		<StructureSection load='2wca' size='340' side='right'caption='[[2wca]], [[Resolution\|resolution]] 2.30Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[2wca]] is a 1 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/~~Bactn Bactn~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2WCA OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://proteopedia.org/fgij/fg.htm?mol=2WCA FirstGlance]. <br>		<table><tr><td colspan='2'>[[2wca]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Bacteroides_thetaiotaomicron_VPI-5482 Bacteroides thetaiotaomicron VPI-5482]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2WCA OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2WCA FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=NP6:[[(3R,4R,5S,6R)-3-(BUTANOYLAMINO)-4,5-DIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YLIDENE]AMINO]+N-PHENYLCARBAMATE'>NP6</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]] 2.3Å</td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2vvn\|2vvn]], [[2w67\|2w67]], [[2vvs\|2vvs]], [[2w4x\|2w4x]], [[2j4g\|2j4g]], [[2cho\|2cho]], [[2vw3\|2vw3]], [[2jiw\|2jiw]], [[2chn\|2chn]], [[2j47\|2j47]], [[2w66\|2w66]]</td></tr>		<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=NP6:[[(3R,4R,5S,6R)-3-(BUTANOYLAMINO)-4,5-DIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YLIDENE]AMINO]+N-PHENYLCARBAMATE'>NP6</scene></td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Beta-N-acetylhexosaminidase Beta-N-acetylhexosaminidase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.2.1.52 3.2.1.52] </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=2wca FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2wca OCA], [https://pdbe.org/2wca PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2wca RCSB], [https://www.ebi.ac.uk/pdbsum/2wca PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2wca 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=2wca FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2wca OCA], [~~http~~://pdbe.org/2wca PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=2wca RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/2wca PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=2wca ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
	[~~[http~~://www.uniprot.org/uniprot/OGA_BACTN OGA_BACTN]] Biological function unknown. Capable of hydrolyzing the glycosidic link of O-GlcNAcylated proteins.		[https://www.uniprot.org/uniprot/OGA_BACTN OGA_BACTN] Biological function unknown. Capable of hydrolyzing the glycosidic link of O-GlcNAcylated proteins.
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
	[[Image:Consurf_key_small.gif\|200px\|right]]		[[Image:Consurf_key_small.gif\|200px\|right]]
Line 39:		Line 38:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
	[[Category: ~~Bactn]]~~		[[Category: Bacteroides thetaiotaomicron VPI-5482]]
	~~[[Category: Beta~~-~~N-acetylhexosaminidase~~]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
	[[Category: Davies~~, G J~~]]		[[Category: Davies GJ]]
	[[Category: He, Y]]		[[Category: He Y]]
	~~[[Category: Complex]]~~
	~~[[Category: Glycosidase]]~~
	~~[[Category: Glycoside hydrolase]]~~
	~~[[Category: Hydrolase]]~~
	~~[[Category: Inhibitor~~]]

OCA at 06:57, 7 October 2020

2020-10-07T06:57:37Z

← Older revision		Revision as of 06:57, 7 October 2020
Line 1:		Line 1:

	==BtGH84 in complex with n-butyl pugnac==		==BtGH84 in complex with n-butyl pugnac==
	<StructureSection load='2wca' size='340' side='right' caption='[[2wca]], [[Resolution\|resolution]] 2.30Å' scene=''>		<StructureSection load='2wca' size='340' side='right'caption='[[2wca]], [[Resolution\|resolution]] 2.30Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[2wca]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Bactn Bactn]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2WCA OCA]. For a <b>guided tour on the structure components</b> use [http://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=2WCA FirstGlance]. <br>		<table><tr><td colspan='2'>[[2wca]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Bactn Bactn]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2WCA OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=2WCA FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=NP6:[[(3R,4R,5S,6R)-3-(BUTANOYLAMINO)-4,5-DIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YLIDENE]AMINO]+N-PHENYLCARBAMATE'>NP6</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=NP6:[[(3R,4R,5S,6R)-3-(BUTANOYLAMINO)-4,5-DIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YLIDENE]AMINO]+N-PHENYLCARBAMATE'>NP6</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2vvn\|2vvn]], [[2w67\|2w67]], [[2vvs\|2vvs]], [[2w4x\|2w4x]], [[2j4g\|2j4g]], [[2cho\|2cho]], [[2vw3\|2vw3]], [[2jiw\|2jiw]], [[2chn\|2chn]], [[2j47\|2j47]], [[2w66\|2w66]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2vvn\|2vvn]], [[2w67\|2w67]], [[2vvs\|2vvs]], [[2w4x\|2w4x]], [[2j4g\|2j4g]], [[2cho\|2cho]], [[2vw3\|2vw3]], [[2jiw\|2jiw]], [[2chn\|2chn]], [[2j47\|2j47]], [[2w66\|2w66]]</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Beta-N-acetylhexosaminidase Beta-N-acetylhexosaminidase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.2.1.52 3.2.1.52] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Beta-N-acetylhexosaminidase Beta-N-acetylhexosaminidase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.2.1.52 3.2.1.52] </span></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=2wca FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2wca OCA], [http://pdbe.org/2wca PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2wca RCSB], [http://www.ebi.ac.uk/pdbsum/2wca PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=2wca 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=2wca FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2wca OCA], [http://pdbe.org/2wca PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2wca RCSB], [http://www.ebi.ac.uk/pdbsum/2wca PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=2wca ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 33:		Line 33:
	==See Also==		==See Also==
	*[[Beta-Hexosaminidase\|Beta-Hexosaminidase]]		*[[Beta-Hexosaminidase\|Beta-Hexosaminidase]]
			*[[Beta-Hexosaminidase 3D structures\|Beta-Hexosaminidase 3D structures]]
			*[[O-GlcNAcase\|O-GlcNAcase]]
	== References ==		== References ==
	<references/>		<references/>
Line 39:		Line 41:
	[[Category: Bactn]]		[[Category: Bactn]]
	[[Category: Beta-N-acetylhexosaminidase]]		[[Category: Beta-N-acetylhexosaminidase]]
			[[Category: Large Structures]]
	[[Category: Davies, G J]]		[[Category: Davies, G J]]
	[[Category: He, Y]]		[[Category: He, Y]]

OCA at 07:00, 2 January 2019

2019-01-02T07:00:14Z

← Older revision		Revision as of 07:00, 2 January 2019
Line 3:		Line 3:
	<StructureSection load='2wca' size='340' side='right' caption='[[2wca]], [[Resolution\|resolution]] 2.30Å' scene=''>		<StructureSection load='2wca' size='340' side='right' caption='[[2wca]], [[Resolution\|resolution]] 2.30Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[2wca]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2WCA OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2WCA FirstGlance]. <br>		<table><tr><td colspan='2'>[[2wca]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Bactn Bactn]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2WCA OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2WCA FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=NP6:[[(3R,4R,5S,6R)-3-(BUTANOYLAMINO)-4,5-DIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YLIDENE]AMINO]+N-PHENYLCARBAMATE'>NP6</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=NP6:[[(3R,4R,5S,6R)-3-(BUTANOYLAMINO)-4,5-DIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YLIDENE]AMINO]+N-PHENYLCARBAMATE'>NP6</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2vvn\|2vvn]], [[2w67\|2w67]], [[2vvs\|2vvs]], [[2w4x\|2w4x]], [[2j4g\|2j4g]], [[2cho\|2cho]], [[2vw3\|2vw3]], [[2jiw\|2jiw]], [[2chn\|2chn]], [[2j47\|2j47]], [[2w66\|2w66]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2vvn\|2vvn]], [[2w67\|2w67]], [[2vvs\|2vvs]], [[2w4x\|2w4x]], [[2j4g\|2j4g]], [[2cho\|2cho]], [[2vw3\|2vw3]], [[2jiw\|2jiw]], [[2chn\|2chn]], [[2j47\|2j47]], [[2w66\|2w66]]</td></tr>
Line 15:		Line 15:
	Check<jmol>		Check<jmol>
	<jmolCheckbox>		<jmolCheckbox>
	<scriptWhenChecked>select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/wc/2wca_consurf.spt"</scriptWhenChecked>		<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/wc/2wca_consurf.spt"</scriptWhenChecked>
	<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>		<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
	<text>to colour the structure by Evolutionary Conservation</text>		<text>to colour the structure by Evolutionary Conservation</text>
Line 37:		Line 37:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
			[[Category: Bactn]]
	[[Category: Beta-N-acetylhexosaminidase]]		[[Category: Beta-N-acetylhexosaminidase]]
	[[Category: Davies, G J]]		[[Category: Davies, G J]]

OCA at 06:52, 29 March 2017

2017-03-29T06:52:19Z

← Older revision		Revision as of 06:52, 29 March 2017
Line 1:		Line 1:
	==~~BTGH84 IN COMPLEX WITH N~~-~~BUTYL PUGNAC~~==
			==BtGH84 in complex with n-butyl pugnac==
	<StructureSection load='2wca' size='340' side='right' caption='[[2wca]], [[Resolution\|resolution]] 2.30Å' scene=''>		<StructureSection load='2wca' size='340' side='right' caption='[[2wca]], [[Resolution\|resolution]] 2.30Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[2wca]] is a 1 chain structure ~~with sequence from [http://en.wikipedia.org/wiki/Bactn Bactn]~~. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2WCA OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2WCA FirstGlance]. <br>		<table><tr><td colspan='2'>[[2wca]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2WCA OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2WCA FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=NP6:[[(3R,4R,5S,6R)-3-(BUTANOYLAMINO)-4,5-DIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YLIDENE]AMINO]+N-PHENYLCARBAMATE'>NP6</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=NP6:[[(3R,4R,5S,6R)-3-(BUTANOYLAMINO)-4,5-DIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YLIDENE]AMINO]+N-PHENYLCARBAMATE'>NP6</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2vvn\|2vvn]], [[2w67\|2w67]], [[2vvs\|2vvs]], [[2w4x\|2w4x]], [[2j4g\|2j4g]], [[2cho\|2cho]], [[2vw3\|2vw3]], [[2jiw\|2jiw]], [[2chn\|2chn]], [[2j47\|2j47]], [[2w66\|2w66]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2vvn\|2vvn]], [[2w67\|2w67]], [[2vvs\|2vvs]], [[2w4x\|2w4x]], [[2j4g\|2j4g]], [[2cho\|2cho]], [[2vw3\|2vw3]], [[2jiw\|2jiw]], [[2chn\|2chn]], [[2j47\|2j47]], [[2w66\|2w66]]</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Beta-N-acetylhexosaminidase Beta-N-acetylhexosaminidase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.2.1.52 3.2.1.52] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Beta-N-acetylhexosaminidase Beta-N-acetylhexosaminidase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.2.1.52 3.2.1.52] </span></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=2wca FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2wca OCA], [http://pdbe.org/2wca PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2wca RCSB], [http://www.ebi.ac.uk/pdbsum/2wca PDBsum]</span></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=2wca FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2wca OCA], [http://pdbe.org/2wca PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2wca RCSB], [http://www.ebi.ac.uk/pdbsum/2wca PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=2wca ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 36:		Line 37:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
	~~[[Category: Bactn]]~~
	[[Category: Beta-N-acetylhexosaminidase]]		[[Category: Beta-N-acetylhexosaminidase]]
	[[Category: Davies, G J]]		[[Category: Davies, G J]]

OCA at 08:03, 9 February 2016

2016-02-09T08:03:16Z

← Older revision		Revision as of 08:03, 9 February 2016
Line 2:		Line 2:
	<StructureSection load='2wca' size='340' side='right' caption='[[2wca]], [[Resolution\|resolution]] 2.30Å' scene=''>		<StructureSection load='2wca' size='340' side='right' caption='[[2wca]], [[Resolution\|resolution]] 2.30Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[2wca]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/~~Bacteroides_thetaiotaomicron_vpi-5482 Bacteroides thetaiotaomicron vpi-5482~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2WCA OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2WCA FirstGlance]. <br>		<table><tr><td colspan='2'>[[2wca]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Bactn Bactn]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2WCA OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2WCA FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=NP6:[[(3R,4R,5S,6R)-3-(BUTANOYLAMINO)-4,5-DIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YLIDENE]AMINO]+N-PHENYLCARBAMATE'>NP6</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=NP6:[[(3R,4R,5S,6R)-3-(BUTANOYLAMINO)-4,5-DIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YLIDENE]AMINO]+N-PHENYLCARBAMATE'>NP6</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2vvn\|2vvn]], [[2w67\|2w67]], [[2vvs\|2vvs]], [[2w4x\|2w4x]], [[2j4g\|2j4g]], [[2cho\|2cho]], [[2vw3\|2vw3]], [[2jiw\|2jiw]], [[2chn\|2chn]], [[2j47\|2j47]], [[2w66\|2w66]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2vvn\|2vvn]], [[2w67\|2w67]], [[2vvs\|2vvs]], [[2w4x\|2w4x]], [[2j4g\|2j4g]], [[2cho\|2cho]], [[2vw3\|2vw3]], [[2jiw\|2jiw]], [[2chn\|2chn]], [[2j47\|2j47]], [[2w66\|2w66]]</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Beta-N-acetylhexosaminidase Beta-N-acetylhexosaminidase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.2.1.52 3.2.1.52] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Beta-N-acetylhexosaminidase Beta-N-acetylhexosaminidase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.2.1.52 3.2.1.52] </span></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=2wca FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2wca OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2wca RCSB], [http://www.ebi.ac.uk/pdbsum/2wca PDBsum]</span></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=2wca FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2wca OCA], [http://pdbe.org/2wca PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2wca RCSB], [http://www.ebi.ac.uk/pdbsum/2wca PDBsum]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 18:		Line 18:
	<text>to colour the structure by Evolutionary Conservation</text>		<text>to colour the structure by Evolutionary Conservation</text>
	</jmolCheckbox>		</jmolCheckbox>
	</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary\|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/~~chain_selection~~.php?pdb_ID=~~2ata~~ ConSurf].		</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary\|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=2wca ConSurf].
	<div style="clear:both"></div>		<div style="clear:both"></div>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
Line 28:		Line 28:
	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>		From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
	</div>		</div>
			<div class="pdbe-citations 2wca" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
Line 35:		Line 36:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
	[[Category: ~~Bacteroides thetaiotaomicron vpi-5482~~]]		[[Category: Bactn]]
	[[Category: Beta-N-acetylhexosaminidase]]		[[Category: Beta-N-acetylhexosaminidase]]
	[[Category: Davies, G J]]		[[Category: Davies, G J]]

OCA at 05:34, 25 December 2014

2014-12-25T05:34:04Z

← Older revision		Revision as of 05:34, 25 December 2014
Line 3:		Line 3:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[2wca]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Bacteroides_thetaiotaomicron_vpi-5482 Bacteroides thetaiotaomicron vpi-5482]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2WCA OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2WCA FirstGlance]. <br>		<table><tr><td colspan='2'>[[2wca]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Bacteroides_thetaiotaomicron_vpi-5482 Bacteroides thetaiotaomicron vpi-5482]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2WCA OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2WCA FirstGlance]. <br>
	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=NP6:[[(3R,4R,5S,6R)-3-(BUTANOYLAMINO)-4,5-DIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YLIDENE]AMINO]+N-PHENYLCARBAMATE'>NP6</scene><br>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=NP6:[[(3R,4R,5S,6R)-3-(BUTANOYLAMINO)-4,5-DIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YLIDENE]AMINO]+N-PHENYLCARBAMATE'>NP6</scene></td></tr>
	<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2vvn\|2vvn]], [[2w67\|2w67]], [[2vvs\|2vvs]], [[2w4x\|2w4x]], [[2j4g\|2j4g]], [[2cho\|2cho]], [[2vw3\|2vw3]], [[2jiw\|2jiw]], [[2chn\|2chn]], [[2j47\|2j47]], [[2w66\|2w66]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2vvn\|2vvn]], [[2w67\|2w67]], [[2vvs\|2vvs]], [[2w4x\|2w4x]], [[2j4g\|2j4g]], [[2cho\|2cho]], [[2vw3\|2vw3]], [[2jiw\|2jiw]], [[2chn\|2chn]], [[2j47\|2j47]], [[2w66\|2w66]]</td></tr>
	<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Beta-N-acetylhexosaminidase Beta-N-acetylhexosaminidase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.2.1.52 3.2.1.52] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Beta-N-acetylhexosaminidase Beta-N-acetylhexosaminidase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.2.1.52 3.2.1.52] </span></td></tr>
	<tr><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2wca FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2wca OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2wca RCSB], [http://www.ebi.ac.uk/pdbsum/2wca PDBsum]</span></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=2wca FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2wca OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2wca RCSB], [http://www.ebi.ac.uk/pdbsum/2wca PDBsum]</span></td></tr>
	<table>		</table>
			== Function ==
			[[http://www.uniprot.org/uniprot/OGA_BACTN OGA_BACTN]] Biological function unknown. Capable of hydrolyzing the glycosidic link of O-GlcNAcylated proteins.
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
	[[Image:Consurf_key_small.gif\|200px\|right]]		[[Image:Consurf_key_small.gif\|200px\|right]]
Line 35:		Line 37:
	[[Category: Bacteroides thetaiotaomicron vpi-5482]]		[[Category: Bacteroides thetaiotaomicron vpi-5482]]
	[[Category: Beta-N-acetylhexosaminidase]]		[[Category: Beta-N-acetylhexosaminidase]]
	[[Category: Davies, G J.]]		[[Category: Davies, G J]]
	[[Category: He, Y.]]		[[Category: He, Y]]
	[[Category: Complex]]		[[Category: Complex]]
	[[Category: Glycosidase]]		[[Category: Glycosidase]]

OCA at 07:50, 29 September 2014

2014-09-29T07:50:56Z

← Older revision		Revision as of 07:50, 29 September 2014
Line 1:		Line 1:
	[[Image:~~2wca~~.~~png~~\|~~left~~\|~~200px~~]]		==BTGH84 IN COMPLEX WITH N-BUTYL PUGNAC==
			<StructureSection load='2wca' size='340' side='right' caption='[[2wca]], [[Resolution\|resolution]] 2.30Å' scene=''>
			== Structural highlights ==
			<table><tr><td colspan='2'>[[2wca]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Bacteroides_thetaiotaomicron_vpi-5482 Bacteroides thetaiotaomicron vpi-5482]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2WCA OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2WCA FirstGlance]. <br>
			</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=NP6:[[(3R,4R,5S,6R)-3-(BUTANOYLAMINO)-4,5-DIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YLIDENE]AMINO]+N-PHENYLCARBAMATE'>NP6</scene><br>
			<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2vvn\|2vvn]], [[2w67\|2w67]], [[2vvs\|2vvs]], [[2w4x\|2w4x]], [[2j4g\|2j4g]], [[2cho\|2cho]], [[2vw3\|2vw3]], [[2jiw\|2jiw]], [[2chn\|2chn]], [[2j47\|2j47]], [[2w66\|2w66]]</td></tr>
			<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Beta-N-acetylhexosaminidase Beta-N-acetylhexosaminidase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.2.1.52 3.2.1.52] </span></td></tr>
			<tr><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2wca FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2wca OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2wca RCSB], [http://www.ebi.ac.uk/pdbsum/2wca PDBsum]</span></td></tr>
			<table>
			== Evolutionary Conservation ==
			[[Image:Consurf_key_small.gif\|200px\|right]]
			Check<jmol>
			<jmolCheckbox>
			<scriptWhenChecked>select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/wc/2wca_consurf.spt"</scriptWhenChecked>
			<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
			<text>to colour the structure by Evolutionary Conservation</text>
			</jmolCheckbox>
			</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary\|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/chain_selection.php?pdb_ID=2ata ConSurf].
			<div style="clear:both"></div>
			<div style="background-color:#fffaf0;">
			== Publication Abstract from PubMed ==
			NagZ is an exo-N-acetyl-beta-glucosaminidase, found within Gram-negative bacteria, that acts in the peptidoglycan recycling pathway to cleave N-acetylglucosamine residues off peptidoglycan fragments. This activity is required for resistance to cephalosporins mediated by inducible AmpC beta-lactamase. NagZ uses a catalytic mechanism involving a covalent glycosyl enzyme intermediate, unlike that of the human exo-N-acetyl-beta-glucosaminidases: O-GlcNAcase and the beta-hexosaminidase isoenzymes. These latter enzymes, which remove GlcNAc from glycoconjugates, use a neighboring-group catalytic mechanism that proceeds through an oxazoline intermediate. Exploiting these mechanistic differences we previously developed 2-N-acyl derivatives of O-(2-acetamido-2-deoxy-D-glucopyranosylidene)amino-N-phenylcarbamate (PUGNAc), which selectively inhibits NagZ over the functionally related human enzymes and attenuate antibiotic resistance in Gram-negatives that harbor inducible AmpC. To understand the structural basis for the selectivity of these inhibitors for NagZ, we have determined its crystallographic structure in complex with N-valeryl-PUGNAc, the most selective known inhibitor of NagZ over both the human beta-hexosaminidases and O-GlcNAcase. The selectivity stems from the five-carbon acyl chain of N-valeryl-PUGNAc, which we found ordered within the enzyme active site. In contrast, a structure determination of a human O-GlcNAcase homologue bound to a related inhibitor N-butyryl-PUGNAc, which bears a four-carbon chain and is selective for both NagZ and O-GlcNAcase over the human beta-hexosamnidases, reveals that this inhibitor induces several conformational changes in the active site of this O-GlcNAcase homologue. A comparison of these complexes, and with the human beta-hexosaminidases, reveals how selectivity for NagZ can be engineered by altering the 2-N-acyl substituent of PUGNAc to develop inhibitors that repress AmpC mediated beta-lactam resistance.

	~~{{STRUCTURE_2wca\| PDB=2wca \| SCENE= }}~~		Insight into a strategy for attenuating AmpC-mediated beta-lactam resistance: Structural basis for selective inhibition of the glycoside hydrolase NagZ.,Balcewich MD, Stubbs KA, He Y, James TW, Davies GJ, Vocadlo DJ, Mark BL Protein Sci. 2009 Apr 16. PMID:19499593<ref>PMID:19499593</ref>

	~~===BTGH84 IN COMPLEX WITH N-BUTYL PUGNAC===~~		From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
			</div>
	~~{{ABSTRACT_PUBMED_19499593}}~~

	~~==About this Structure==~~
	~~[[2wca]] is~~ a ~~1 chain structure with sequence from [http://en.wikipedia~~.~~org/wiki/Bacteroides_thetaiotaomicron_vpi-5482 Bacteroides thetaiotaomicron vpi-5482]~~. ~~Full crystallographic information is available from [http://oca~~.~~weizmann.ac.il/oca-bin~~/~~ocashort?id=2WCA OCA].~~

	==See Also==		==See Also==
	*[[Beta-Hexosaminidase\|Beta-Hexosaminidase]]		*[[Beta-Hexosaminidase\|Beta-Hexosaminidase]]
			== References ==
	==~~Reference~~==		<references/>
	<~~ref group="xtra">PMID:019499593<~~/~~ref~~><~~references group="xtra"~~/>		__TOC__
			</StructureSection>
	[[Category: Bacteroides thetaiotaomicron vpi-5482]]		[[Category: Bacteroides thetaiotaomicron vpi-5482]]
	[[Category: Beta-N-acetylhexosaminidase]]		[[Category: Beta-N-acetylhexosaminidase]]

OCA at 13:12, 20 October 2012

2012-10-20T13:12:44Z

← Older revision		Revision as of 13:12, 20 October 2012
Line 8:		Line 8:

	==About this Structure==		==About this Structure==
	[[2wca]] is a 1 chain structure ~~of [[Beta-Hexosaminidase]]~~ with sequence from [http://en.wikipedia.org/wiki/~~Bacteria Bacteria~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2WCA OCA].		[[2wca]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Bacteroides_thetaiotaomicron_vpi-5482 Bacteroides thetaiotaomicron vpi-5482]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2WCA OCA].

	==See Also==		==See Also==
Line 15:		Line 15:
	==Reference==		==Reference==
	<ref group="xtra">PMID:019499593</ref><references group="xtra"/>		<ref group="xtra">PMID:019499593</ref><references group="xtra"/>
	[[Category: ~~Bacteria~~]]		[[Category: Bacteroides thetaiotaomicron vpi-5482]]
	[[Category: Beta-N-acetylhexosaminidase]]		[[Category: Beta-N-acetylhexosaminidase]]
	[[Category: Davies, G J.]]		[[Category: Davies, G J.]]

OCA: Protected "2wca" [edit=sysop:move=sysop]

2012-07-26T11:15:10Z

Protected "2wca" [edit=sysop:move=sysop]

← Older revision	Revision as of 11:15, 26 July 2012
(No difference)

OCA at 11:15, 26 July 2012

2012-07-26T11:15:08Z

← Older revision		Revision as of 11:15, 26 July 2012
Line 1:		Line 1:
	~~{{Seed}}~~
	[[Image:2wca.png\|left\|200px]]		[[Image:2wca.png\|left\|200px]]

	~~<!--~~
	~~The line below this paragraph, containing "STRUCTURE_2wca", creates the "Structure Box" on the page.~~
	~~You may change the PDB parameter (which sets the PDB file loaded into the applet)~~
	~~or the SCENE parameter (which sets the initial scene displayed when the page is loaded),~~
	~~or leave the SCENE parameter empty for the default display.~~
	~~-->~~
	{{STRUCTURE_2wca\| PDB=2wca \| SCENE= }}		{{STRUCTURE_2wca\| PDB=2wca \| SCENE= }}

	===BTGH84 IN COMPLEX WITH N-BUTYL PUGNAC===		===BTGH84 IN COMPLEX WITH N-BUTYL PUGNAC===


	~~<!--~~
	~~The line below this paragraph, {{ABSTRACT_PUBMED_19499593}}, adds the Publication Abstract to the page~~
	~~(as it appears on PubMed at http://www.pubmed.gov), where 19499593 is the PubMed ID number.~~
	~~-->~~
	{{ABSTRACT_PUBMED_19499593}}		{{ABSTRACT_PUBMED_19499593}}

	==About this Structure==		==About this Structure==
	~~2WCA~~ is a 1 chain structure of sequence from [http://en.wikipedia.org/wiki/Bacteria Bacteria]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2WCA OCA].		[[2wca]] is a 1 chain structure of [[Beta-Hexosaminidase]] with sequence from [http://en.wikipedia.org/wiki/Bacteria Bacteria]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2WCA OCA].

			==See Also==
			*[[Beta-Hexosaminidase\|Beta-Hexosaminidase]]

	==Reference==		==Reference==
	<ref group="xtra">PMID:~~19499593~~</ref><references group="xtra"/>		<ref group="xtra">PMID:019499593</ref><references group="xtra"/>
	[[Category: Bacteria]]		[[Category: Bacteria]]
	[[Category: Beta-N-acetylhexosaminidase]]		[[Category: Beta-N-acetylhexosaminidase]]
Line 33:		Line 24:
	[[Category: Hydrolase]]		[[Category: Hydrolase]]
	[[Category: Inhibitor]]		[[Category: Inhibitor]]

	~~''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Jun 25 08:22:37 2009''~~