3wd4 - Revision history

OCA at 13:05, 8 November 2023

OCA — Wed, 08 Nov 2023 13:05:47 GMT

←Older revision		Revision as of 13:05, 8 November 2023
Line 3:		Line 3:
	<StructureSection load='3wd4' size='340' side='right'caption='[[3wd4]], [[Resolution\|resolution]] 2.00Å' scene=''>		<StructureSection load='3wd4' size='340' side='right'caption='[[3wd4]], [[Resolution\|resolution]] 2.00Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3wd4]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/~~"bacillus_marcescens"_(bizio_1823)_trevisan_in_de_toni_and_trevisan_1889 "bacillus~~ marcescens~~" (bizio 1823) trevisan in de toni and trevisan 1889~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3WD4 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3WD4 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3wd4]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Serratia_marcescens Serratia marcescens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3WD4 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3WD4 FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=A1L:[2-[[(2S)-1-[BIS(PHENYLMETHYL)AMINO]-5-[[N-(METHYLCARBAMOYL)CARBAMIMIDOYL]AMINO]-1-OXIDANYLIDENE-PENTAN-2-YL]AMINO]-2-OXIDANYLIDENE-ETHYL]-DIAZONIO-AZANIDE'>A1L</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=QUB:(E)-N-(PROP-2-EN-1-YLOXY)-1-(QUINOLIN-4-YL)METHANIMINE'>QUB</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]] 2Å</td></tr>
-	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[3wd0\|3wd0]], [[3wd1\|3wd1]], [[3wd2\|3wd2]], [[3wd3\|3wd3]]</div></td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=A1L:[2-[[(2S)-1-[BIS(PHENYLMETHYL)AMINO]-5-[[N-(METHYLCARBAMOYL)CARBAMIMIDOYL]AMINO]-1-OXIDANYLIDENE-PENTAN-2-YL]AMINO]-2-OXIDANYLIDENE-ETHYL]-DIAZONIO-AZANIDE'>A1L</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=QUB:(E)-N-(PROP-2-EN-1-YLOXY)-1-(QUINOLIN-4-YL)METHANIMINE'>QUB</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">chiB ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=615 "Bacillus marcescens" (Bizio 1823) Trevisan in de Toni and Trevisan 1889])</td></tr>	+
-	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/Chitinase Chitinase], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.2.1.14 3.2.1.14] </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=3wd4 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3wd4 OCA], [https://pdbe.org/3wd4 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3wd4 RCSB], [https://www.ebi.ac.uk/pdbsum/3wd4 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3wd4 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=3wd4 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3wd4 OCA], [https://pdbe.org/3wd4 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3wd4 RCSB], [https://www.ebi.ac.uk/pdbsum/3wd4 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3wd4 ProSAT]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/CHIB_SERMA CHIB_SERMA]
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 26:		Line 26:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: Chitinase]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Gouda, H]]	+	[[Category: Serratia marcescens]]
-	[[Category: Hirono, S]]	+	[[Category: Gouda H]]
-	[[Category: Hirose, T]]	+	[[Category: Hirono S]]
-	[[Category: Koseki, J]]	+	[[Category: Hirose T]]
-	[[Category: Maita, N]]	+	[[Category: Koseki J]]
-	[[Category: Nakano, H]]	+	[[Category: Maita N]]
-	[[Category: Omura, S]]	+	[[Category: Nakano H]]
-	[[Category: Sharpless~~, K B~~]]	+	[[Category: Omura S]]
-	[[Category: Shiomi, K]]	+	[[Category: Sharpless KB]]
-	[[Category: Sugawara, A]]	+	[[Category: Shiomi K]]
-	[[Category: Sunazuka, T]]	+	[[Category: Sugawara A]]
-	[[Category: Taniguchi, H]]	+	[[Category: Sunazuka T]]
-	[[Category: Watanabe, T]]	+	[[Category: Taniguchi H]]
-	[[Category: Yamamoto, T]]	+	[[Category: Watanabe T]]
-	~~[[Category: Hydrolase]]~~	+	[[Category: Yamamoto T]]
-	~~[[Category: Hydrolase-hydrolase inhibitor complex]]~~	+
-	~~[[Category: Tim barrel~~]]	+

OCA at 05:32, 3 August 2022

OCA — Wed, 03 Aug 2022 05:32:16 GMT

←Older revision		Revision as of 05:32, 3 August 2022
Line 1:		Line 1:

	==Serratia marcescens Chitinase B complexed with azide inhibitor and quinoline compound==		==Serratia marcescens Chitinase B complexed with azide inhibitor and quinoline compound==
-	<StructureSection load='3wd4' size='340' side='right' caption='[[3wd4]], [[Resolution\|resolution]] 2.00Å' scene=''>	+	<StructureSection load='3wd4' size='340' side='right'caption='[[3wd4]], [[Resolution\|resolution]] 2.00Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3wd4]] is a 1 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/"bacillus_marcescens"_(bizio_1823)_trevisan_in_de_toni_and_trevisan_1889 "bacillus marcescens" (bizio 1823) trevisan in de toni and trevisan 1889]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3WD4 OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=3WD4 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3wd4]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/"bacillus_marcescens"_(bizio_1823)_trevisan_in_de_toni_and_trevisan_1889 "bacillus marcescens" (bizio 1823) trevisan in de toni and trevisan 1889]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3WD4 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3WD4 FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=A1L:[2-[[(2S)-1-[BIS(PHENYLMETHYL)AMINO]-5-[[N-(METHYLCARBAMOYL)CARBAMIMIDOYL]AMINO]-1-OXIDANYLIDENE-PENTAN-2-YL]AMINO]-2-OXIDANYLIDENE-ETHYL]-DIAZONIO-AZANIDE'>A1L</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=QUB:(E)-N-(PROP-2-EN-1-YLOXY)-1-(QUINOLIN-4-YL)METHANIMINE'>QUB</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=A1L:[2-[[(2S)-1-[BIS(PHENYLMETHYL)AMINO]-5-[[N-(METHYLCARBAMOYL)CARBAMIMIDOYL]AMINO]-1-OXIDANYLIDENE-PENTAN-2-YL]AMINO]-2-OXIDANYLIDENE-ETHYL]-DIAZONIO-AZANIDE'>A1L</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=QUB:(E)-N-(PROP-2-EN-1-YLOXY)-1-(QUINOLIN-4-YL)METHANIMINE'>QUB</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
-	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3wd0\|3wd0]], [[3wd1\|3wd1]], [[3wd2\|3wd2]], [[3wd3\|3wd3]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[3wd0\|3wd0]], [[3wd1\|3wd1]], [[3wd2\|3wd2]], [[3wd3\|3wd3]]</div></td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">chiB ([~~http~~://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=615 "Bacillus marcescens" (Bizio 1823) Trevisan in de Toni and Trevisan 1889])</td></tr>	+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">chiB ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=615 "Bacillus marcescens" (Bizio 1823) Trevisan in de Toni and Trevisan 1889])</td></tr>
-	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[~~http~~://en.wikipedia.org/wiki/Chitinase Chitinase], with EC number [~~http~~://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.2.1.14 3.2.1.14] </span></td></tr>	+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/Chitinase Chitinase], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.2.1.14 3.2.1.14] </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=3wd4 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3wd4 OCA], [~~http~~://pdbe.org/3wd4 PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=3wd4 RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/3wd4 PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=3wd4 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=3wd4 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3wd4 OCA], [https://pdbe.org/3wd4 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3wd4 RCSB], [https://www.ebi.ac.uk/pdbsum/3wd4 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3wd4 ProSAT]</span></td></tr>
	</table>		</table>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
Line 21:		Line 21:

	==See Also==		==See Also==
-	*[[Chitinase\|Chitinase]]	+	*[[Chitinase 3D structures\|Chitinase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
Line 27:		Line 27:
	</StructureSection>		</StructureSection>
	[[Category: Chitinase]]		[[Category: Chitinase]]
		+	[[Category: Large Structures]]
	[[Category: Gouda, H]]		[[Category: Gouda, H]]
	[[Category: Hirono, S]]		[[Category: Hirono, S]]

OCA at 18:44, 4 August 2016

OCA — Thu, 04 Aug 2016 18:44:10 GMT

←Older revision		Revision as of 18:44, 4 August 2016
Line 1:		Line 1:
		+
	==Serratia marcescens Chitinase B complexed with azide inhibitor and quinoline compound==		==Serratia marcescens Chitinase B complexed with azide inhibitor and quinoline compound==
	<StructureSection load='3wd4' size='340' side='right' caption='[[3wd4]], [[Resolution\|resolution]] 2.00Å' scene=''>		<StructureSection load='3wd4' size='340' side='right' caption='[[3wd4]], [[Resolution\|resolution]] 2.00Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3wd4]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/~~Serratia_marcescens Serratia~~ marcescens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3WD4 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3WD4 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3wd4]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/"bacillus_marcescens"_(bizio_1823)_trevisan_in_de_toni_and_trevisan_1889 "bacillus marcescens" (bizio 1823) trevisan in de toni and trevisan 1889]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3WD4 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3WD4 FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=A1L:[2-[[(2S)-1-[BIS(PHENYLMETHYL)AMINO]-5-[[N-(METHYLCARBAMOYL)CARBAMIMIDOYL]AMINO]-1-OXIDANYLIDENE-PENTAN-2-YL]AMINO]-2-OXIDANYLIDENE-ETHYL]-DIAZONIO-AZANIDE'>A1L</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=QUB:(E)-N-(PROP-2-EN-1-YLOXY)-1-(QUINOLIN-4-YL)METHANIMINE'>QUB</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=A1L:[2-[[(2S)-1-[BIS(PHENYLMETHYL)AMINO]-5-[[N-(METHYLCARBAMOYL)CARBAMIMIDOYL]AMINO]-1-OXIDANYLIDENE-PENTAN-2-YL]AMINO]-2-OXIDANYLIDENE-ETHYL]-DIAZONIO-AZANIDE'>A1L</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=QUB:(E)-N-(PROP-2-EN-1-YLOXY)-1-(QUINOLIN-4-YL)METHANIMINE'>QUB</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3wd0\|3wd0]], [[3wd1\|3wd1]], [[3wd2\|3wd2]], [[3wd3\|3wd3]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3wd0\|3wd0]], [[3wd1\|3wd1]], [[3wd2\|3wd2]], [[3wd3\|3wd3]]</td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">chiB ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=615 ~~Serratia~~ marcescens])</td></tr>	+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">chiB ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=615 "Bacillus marcescens" (Bizio 1823) Trevisan in de Toni and Trevisan 1889])</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Chitinase Chitinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.2.1.14 3.2.1.14] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Chitinase Chitinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.2.1.14 3.2.1.14] </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=3wd4 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3wd4 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3wd4 RCSB], [http://www.ebi.ac.uk/pdbsum/3wd4 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=3wd4 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3wd4 OCA], [http://pdbe.org/3wd4 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3wd4 RCSB], [http://www.ebi.ac.uk/pdbsum/3wd4 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=3wd4 ProSAT]</span></td></tr>
	</table>		</table>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
Line 17:		Line 18:
	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 3wd4" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
Line 25:		Line 27:
	</StructureSection>		</StructureSection>
	[[Category: Chitinase]]		[[Category: Chitinase]]
-	[[Category: Serratia marcescens]]
	[[Category: Gouda, H]]		[[Category: Gouda, H]]
	[[Category: Hirono, S]]		[[Category: Hirono, S]]

OCA at 09:51, 21 December 2014

OCA — Sun, 21 Dec 2014 09:51:49 GMT

←Older revision		Revision as of 09:51, 21 December 2014
Line 1:		Line 1:
-	~~{{STRUCTURE_3wd4~~\| ~~PDB~~=3wd4 \| ~~SCENE~~= }}	+	==Serratia marcescens Chitinase B complexed with azide inhibitor and quinoline compound==
-	===Serratia marcescens Chitinase B complexed with azide inhibitor and ~~quinoline compound===~~	+	<StructureSection load='3wd4' size='340' side='right' caption='[[3wd4]], [[Resolution\|resolution]] 2.00Å' scene=''>
-	~~{{ABSTRACT_PUBMED_24043811}}~~	+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[3wd4]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Serratia_marcescens Serratia marcescens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3WD4 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3WD4 FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=A1L:[2-[[(2S)-1-[BIS(PHENYLMETHYL)AMINO]-5-[[N-(METHYLCARBAMOYL)CARBAMIMIDOYL]AMINO]-1-OXIDANYLIDENE-PENTAN-2-YL]AMINO]-2-OXIDANYLIDENE-ETHYL]-DIAZONIO-AZANIDE'>A1L</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=QUB:(E)-N-(PROP-2-EN-1-YLOXY)-1-(QUINOLIN-4-YL)METHANIMINE'>QUB</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
		+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3wd0\|3wd0]], [[3wd1\|3wd1]], [[3wd2\|3wd2]], [[3wd3\|3wd3]]</td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">chiB ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=615 Serratia marcescens])</td></tr>
		+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Chitinase Chitinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.2.1.14 3.2.1.14] </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=3wd4 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3wd4 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3wd4 RCSB], [http://www.ebi.ac.uk/pdbsum/3wd4 PDBsum]</span></td></tr>
		+	</table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	The Huisgen cycloaddition of azides and alkynes, accelerated by target biomolecules, termed "in situ click chemistry," has been successfully exploited to discover highly potent enzyme inhibitors. We have previously reported a specific Serratia marcescens chitinase B (SmChiB)-templated syn-triazole inhibitor generated in situ from an azide-bearing inhibitor and an alkyne fragment. Several in situ click chemistry studies have been reported. Although some mechanistic evidence has been obtained, such as X-ray analysis of [protein]-["click ligand"] complexes, indicating that proteins act as both mold and template between unique pairs of azide and alkyne fragments, to date, observations have been based solely on "postclick" structural information. Here, we describe crystal structures of SmChiB complexed with an azide ligand and an O-allyl oxime fragment as a mimic of a click partner, revealing a mechanism for accelerating syn-triazole formation, which allows generation of its own distinct inhibitor. We have also performed density functional theory calculations based on the X-ray structure to explore the acceleration of the Huisgen cycloaddition by SmChiB. The density functional theory calculations reasonably support that SmChiB plays a role by the cage effect during the pretranslation and posttranslation states of selective syn-triazole click formation.

-	~~==About this Structure==~~	+	Observation of the controlled assembly of preclick components in the in situ click chemistry generation of a chitinase inhibitor.,Hirose T, Maita N, Gouda H, Koseki J, Yamamoto T, Sugawara A, Nakano H, Hirono S, Shiomi K, Watanabe T, Taniguchi H, Sharpless KB, Omura S, Sunazuka T Proc Natl Acad Sci U S A. 2013 Oct 1;110(40):15892-7. doi:, 10.1073/pnas.1315049110. Epub 2013 Sep 16. PMID:24043811<ref>PMID:24043811</ref>
-	~~[[3wd4]] is~~ a 1 ~~chain structure with sequence from [http~~:~~//en~~.~~wikipedia~~.~~org~~/~~wiki/Serratia_marcescens Serratia marcescens]~~. ~~Full crystallographic information is available from [http://oca~~.~~weizmann~~.~~ac.il~~/~~oca-bin/ocashort?id=3WD4 OCA].~~	+

-	==~~Reference~~==	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	~~<ref group~~=~~"xtra">PMID:024043811</ref>~~<references ~~group="xtra"~~/><~~references~~/>	+	</div>
		+
		+	==See Also==
		+	*[[Chitinase\|Chitinase]]
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
	[[Category: Chitinase]]		[[Category: Chitinase]]
	[[Category: Serratia marcescens]]		[[Category: Serratia marcescens]]
-	[[Category: Gouda, H.]]	+	[[Category: Gouda, H]]
-	[[Category: Hirono, S.]]	+	[[Category: Hirono, S]]
-	[[Category: Hirose, T.]]	+	[[Category: Hirose, T]]
-	[[Category: Koseki, J.]]	+	[[Category: Koseki, J]]
-	[[Category: Maita, N.]]	+	[[Category: Maita, N]]
-	[[Category: Nakano, H.]]	+	[[Category: Nakano, H]]
-	[[Category: Omura, S.]]	+	[[Category: Omura, S]]
-	[[Category: Sharpless, K B.]]	+	[[Category: Sharpless, K B]]
-	[[Category: Shiomi, K.]]	+	[[Category: Shiomi, K]]
-	[[Category: Sugawara, A.]]	+	[[Category: Sugawara, A]]
-	[[Category: Sunazuka, T.]]	+	[[Category: Sunazuka, T]]
-	[[Category: Taniguchi, H.]]	+	[[Category: Taniguchi, H]]
-	[[Category: Watanabe, T.]]	+	[[Category: Watanabe, T]]
-	[[Category: Yamamoto, T.]]	+	[[Category: Yamamoto, T]]
	[[Category: Hydrolase]]		[[Category: Hydrolase]]
	[[Category: Hydrolase-hydrolase inhibitor complex]]		[[Category: Hydrolase-hydrolase inhibitor complex]]
	[[Category: Tim barrel]]		[[Category: Tim barrel]]

OCA at 06:26, 6 November 2013

OCA — Wed, 06 Nov 2013 06:26:19 GMT

←Older revision		Revision as of 06:26, 6 November 2013
Line 1:		Line 1:
	{{STRUCTURE_3wd4\| PDB=3wd4 \| SCENE= }}		{{STRUCTURE_3wd4\| PDB=3wd4 \| SCENE= }}
-	===Serratia marcescens Chitinase B complexed with azide inhibitor and ~~quinolin~~ compound===	+	===Serratia marcescens Chitinase B complexed with azide inhibitor and quinoline compound===
		+	{{ABSTRACT_PUBMED_24043811}}

	==About this Structure==		==About this Structure==
	[[3wd4]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Serratia_marcescens Serratia marcescens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3WD4 OCA].		[[3wd4]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Serratia_marcescens Serratia marcescens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3WD4 OCA].
		+
		+	==Reference==
		+	<ref group="xtra">PMID:024043811</ref><references group="xtra"/><references/>
	[[Category: Chitinase]]		[[Category: Chitinase]]
	[[Category: Serratia marcescens]]		[[Category: Serratia marcescens]]

OCA at 04:16, 20 September 2013

OCA — Fri, 20 Sep 2013 04:16:41 GMT

←Older revision		Revision as of 04:16, 20 September 2013
Line 1:		Line 1:
-	~~'''Unreleased structure'''~~	+	{{STRUCTURE_3wd4\| PDB=3wd4 \| SCENE= }}
		+	===Serratia marcescens Chitinase B complexed with azide inhibitor and quinolin compound===

-	~~The entry~~ 3wd4 is ~~ON HOLD~~	+	==About this Structure==
-		+	[[3wd4]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Serratia_marcescens Serratia marcescens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3WD4 OCA].
-	~~Authors~~: ~~Hirose, T~~.~~, Maita, N~~., Gouda, H., ~~Koseki, J~~.~~, Yamamoto~~, T., ~~Sugawara, A~~., Nakano, H.~~, Hirono~~, S., Shiomi, K., ~~Watanabe~~, T., Taniguchi, H., ~~Sharpless, K~~.~~B., Omura, S., Sunazuka~~, T.	+	[[Category: Chitinase]]
-		+	[[Category: Serratia marcescens]]
-	~~Description~~: ~~Serratia marcescens Chitinase B complexed with azide~~ inhibitor ~~and quinolin compound~~	+	[[Category: Gouda, H.]]
		+	[[Category: Hirono, S.]]
		+	[[Category: Hirose, T.]]
		+	[[Category: Koseki, J.]]
		+	[[Category: Maita, N.]]
		+	[[Category: Nakano, H.]]
		+	[[Category: Omura, S.]]
		+	[[Category: Sharpless, K B.]]
		+	[[Category: Shiomi, K.]]
		+	[[Category: Sugawara, A.]]
		+	[[Category: Sunazuka, T.]]
		+	[[Category: Taniguchi, H.]]
		+	[[Category: Watanabe, T.]]
		+	[[Category: Yamamoto, T.]]
		+	[[Category: Hydrolase]]
		+	[[Category: Hydrolase-hydrolase inhibitor complex]]
		+	[[Category: Tim barrel]]

OCA: Protected "3wd4" [edit=sysop:move=sysop]

OCA — Wed, 19 Jun 2013 10:41:34 GMT

Protected "3wd4" [edit=sysop:move=sysop]

←Older revision

Revision as of 10:41, 19 June 2013

OCA: New page: '''Unreleased structure''' The entry 3wd4 is ON HOLD Authors: Hirose, T., Maita, N., Gouda, H., Koseki, J., Yamamoto, T., Sugawara, A., Nakano, H., Hirono, S., Shiomi, K., Watanabe, T.,...

OCA — Wed, 19 Jun 2013 10:41:32 GMT

New page: '''Unreleased structure''' The entry 3wd4 is ON HOLD Authors: Hirose, T., Maita, N., Gouda, H., Koseki, J., Yamamoto, T., Sugawara, A., Nakano, H., Hirono, S., Shiomi, K., Watanabe, T.,...

New page

'''Unreleased structure'''

The entry 3wd4 is ON HOLD

Authors: Hirose, T., Maita, N., Gouda, H., Koseki, J., Yamamoto, T., Sugawara, A., Nakano, H., Hirono, S., Shiomi, K., Watanabe, T., Taniguchi, H., Sharpless, K.B., Omura, S., Sunazuka, T.

Description: Serratia marcescens Chitinase B complexed with azide inhibitor and quinolin compound