6jaw - Revision history

OCA at 10:05, 22 November 2023

OCA — Wed, 22 Nov 2023 10:05:44 GMT

←Older revision		Revision as of 10:05, 22 November 2023
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	<StructureSection load='6jaw' size='340' side='right'caption='[[6jaw]], [[Resolution\|resolution]] 1.98Å' scene=''>		<StructureSection load='6jaw' size='340' side='right'caption='[[6jaw]], [[Resolution\|resolution]] 1.98Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6jaw]] is a 1 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/~~Asian_corn_borer Asian corn borer~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6JAW OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=6JAW FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6jaw]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Ostrinia_furnacalis Ostrinia furnacalis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6JAW OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6JAW FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=BBO:2-[3-(morpholin-4-yl)propyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione'>BBO</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</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]] 1.981Å</td></tr>
-	~~<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[5y29\|5y29]]</td></tr>~~	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=BBO:2-[3-(morpholin-4-yl)propyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione'>BBO</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene></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'>[https://proteopedia.org/fgij/fg.htm?mol=6jaw FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6jaw OCA], [https://pdbe.org/6jaw PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6jaw RCSB], [https://www.ebi.ac.uk/pdbsum/6jaw PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6jaw ProSAT]</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=6jaw FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6jaw OCA], [~~http~~://pdbe.org/6jaw PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=6jaw RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/6jaw PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=6jaw ProSAT]</span></td></tr>	+
	</table>		</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/A0A221ZS22_OSTFU A0A221ZS22_OSTFU]
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
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	</div>		</div>
	<div class="pdbe-citations 6jaw" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 6jaw" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Chitinase 3D structures\|Chitinase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: Asian corn borer]]
-	[[Category: Chitinase]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: ~~Chen, W~~]]	+	[[Category: Ostrinia furnacalis]]
-	[[Category: ~~Yang, Q~~]]	+	[[Category: Chen W]]
-	[[Category: ~~Zhou, Y~~]]	+	[[Category: Yang Q]]
-	[[Category: ~~Hydrolase]]~~	+	[[Category: Zhou Y]]
-	~~[[Category: Inhibitor complex~~]]	+

OCA at 07:28, 21 May 2019

OCA — Tue, 21 May 2019 07:28:45 GMT

←Older revision		Revision as of 07:28, 21 May 2019
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-	'''Unreleased structure'''

-	~~The entry~~ 6jaw is ~~ON HOLD until Paper~~ Publication	+	==Crystal structure of Ostrinia furnacalis Group II chitinase catalytic domain 1 in complex with a napthalimide derivative==
		+	<StructureSection load='6jaw' size='340' side='right'caption='[[6jaw]], [[Resolution\|resolution]] 1.98Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[6jaw]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Asian_corn_borer Asian corn borer]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6JAW OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6JAW FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=BBO:2-[3-(morpholin-4-yl)propyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione'>BBO</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene></td></tr>
		+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[5y29\|5y29]]</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=6jaw FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6jaw OCA], [http://pdbe.org/6jaw PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6jaw RCSB], [http://www.ebi.ac.uk/pdbsum/6jaw PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6jaw ProSAT]</span></td></tr>
		+	</table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Small-molecule inhibitors of insect chitinases have potential applications for controlling insect pests. Insect group II chitinase (ChtII) is the most important chitinase in insects and functions throughout all developmental stages. However, the possibility of inhibiting ChtII by small molecules has not been explored yet. Here, we report the structural characteristics of four molecules that exhibited similar levels of inhibitory activity against OfChtII, a group II chitinase from the agricultural pest Asian corn borer (Ostrinia furnacalis). These inhibitors were chitooctaose (GlcN)8, dipyrido-pyrimidine derivative (DP), piperidine-thienopyridine derivative (PT), and naphthalimide derivative (NI). The crystal structures of the OfChtII catalytic domain complexed with each of the four inhibitors at 1.4~2.0 A resolutions suggested they all exhibit similar binding modes within the substrate-binding cleft; specifically, two hydrophobic groups of the inhibitor interact with +1/+2 tryptophan and a -1 hydrophobic pocket. The structure of the (GlcN)8 complex surprisingly revealed that the oligosaccharide chain of the inhibitor is orientated in the opposite direction to that previously observed in complexes with other chitinases. Injection of the inhibitors into 4th-instar O. furnacalis larvae led to defects in development and pupation. The results of this study provide insights into a general mechanistic principle that confers inhibitory activity against ChtII, which could facilitate rational design of agrochemicals that target ecdysis of insect pests.

-	~~Authors: Chen~~, W., Zhou, Y., Yang, Q.	+	Structural dissection reveals a general mechanistic principle for group II chitinase (ChtII) inhibition.,Chen W, Zhou Y, Yang Q J Biol Chem. 2019 May 3. pii: RA119.007812. doi: 10.1074/jbc.RA119.007812. PMID:31053640<ref>PMID:31053640</ref>

-	~~Description: Crystal structure of Ostrinia furnacalis Group II chitinase catalytic domain 1 in complex with~~ a ~~napthalimide derivative~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	[[Category: ~~Unreleased Structures~~]]	+	</div>
-	[[Category: ~~Yang, Q~~]]	+	<div class="pdbe-citations 6jaw" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Asian corn borer]]
		+	[[Category: Chitinase]]
		+	[[Category: Large Structures]]
	[[Category: Chen, W]]		[[Category: Chen, W]]
		+	[[Category: Yang, Q]]
	[[Category: Zhou, Y]]		[[Category: Zhou, Y]]
		+	[[Category: Hydrolase]]
		+	[[Category: Inhibitor complex]]

OCA at 07:18, 13 February 2019

OCA — Wed, 13 Feb 2019 07:18:19 GMT

←Older revision		Revision as of 07:18, 13 February 2019
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	'''Unreleased structure'''		'''Unreleased structure'''

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

	Authors: Chen, W., Zhou, Y., Yang, Q.		Authors: Chen, W., Zhou, Y., Yang, Q.

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

OCA — Wed, 30 Jan 2019 06:21:04 GMT

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

←Older revision

Revision as of 06:21, 30 January 2019

OCA: New page: '''Unreleased structure''' The entry 6jaw is ON HOLD Authors: Chen, W., Zhou, Y., Yang, Q. Description: Crystal structure of Ostrinia furnacalis Group II chitinase catalytic domain 1 i...

OCA — Wed, 30 Jan 2019 06:21:02 GMT

New page: '''Unreleased structure''' The entry 6jaw is ON HOLD Authors: Chen, W., Zhou, Y., Yang, Q. Description: Crystal structure of Ostrinia furnacalis Group II chitinase catalytic domain 1 i...

New page

'''Unreleased structure'''

The entry 6jaw is ON HOLD

Authors: Chen, W., Zhou, Y., Yang, Q.

Description: Crystal structure of Ostrinia furnacalis Group II chitinase catalytic domain 1 in complex with a napthalimide derivative
[[Category: Unreleased Structures]]
[[Category: Yang, Q]]
[[Category: Chen, W]]
[[Category: Zhou, Y]]