1h0i - Revision history

OCA at 07:26, 7 February 2024

OCA — Wed, 07 Feb 2024 07:26:59 GMT

←Older revision		Revision as of 07:26, 7 February 2024
Line 4:		Line 4:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[1h0i]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Gliocladium Gliocladium] and [https://en.wikipedia.org/wiki/Serratia_marcescens Serratia marcescens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1H0I OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1H0I FirstGlance]. <br>		<table><tr><td colspan='2'>[[1h0i]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Gliocladium Gliocladium] and [https://en.wikipedia.org/wiki/Serratia_marcescens Serratia marcescens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1H0I OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1H0I FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=DAL:D-ALANINE'>DAL</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=IAS:BETA-L-ASPARTIC+ACID'>IAS</scene>, <scene name='pdbligand=MEA:N-METHYLPHENYLALANINE'>MEA</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=VR0:N~5~-[N-(METHYLCARBAMOYL)CARBAMIMIDOYL]-L-ORNITHINE'>VR0</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='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=DAL:D-ALANINE'>DAL</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=IAS:BETA-L-ASPARTIC+ACID'>IAS</scene>, <scene name='pdbligand=MEA:N-METHYLPHENYLALANINE'>MEA</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=VR0:N~5~-[N-(METHYLCARBAMOYL)CARBAMIMIDOYL]-L-ORNITHINE'>VR0</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=1h0i FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1h0i OCA], [https://pdbe.org/1h0i PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1h0i RCSB], [https://www.ebi.ac.uk/pdbsum/1h0i PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1h0i 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=1h0i FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1h0i OCA], [https://pdbe.org/1h0i PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1h0i RCSB], [https://www.ebi.ac.uk/pdbsum/1h0i PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1h0i ProSAT]</span></td></tr>
	</table>		</table>
Line 19:		Line 20:
	</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=1h0i 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=1h0i ConSurf].
	<div style="clear:both"></div>		<div style="clear:both"></div>
-	<div style="background-color:#fffaf0;">
-	== Publication Abstract from PubMed ==
-	Over the past years, family 18 chitinases have been validated as potential targets for the design of drugs against human pathogens that contain or interact with chitin during their normal life cycles. Thus far, only one potent chitinase inhibitor has been described in detail, the pseudotrisaccharide allosamidin. Recently, however, two potent natural-product cyclopentapeptide chitinase inhibitors, argifin and argadin, were reported. Here, we describe high-resolution crystal structures that reveal the details of the interactions of these cyclopeptides with a family 18 chitinase. The structures are examples of complexes of a carbohydrate-processing enzyme with high-affinity peptide-based inhibitors and show in detail how the peptide backbone and side chains mimic the interactions of the enzyme with chitooligosaccharides. Together with enzymological characterization, the structures explain why argadin shows an order of magnitude stronger inhibition than allosamidin, whereas argifin shows weaker inhibition. The peptides bind to the chitinase in remarkably different ways, which may explain the differences in inhibition constants. The two complexes provide a basis for structure-based design of potent chitinase inhibitors, accessible by standard peptide chemistry.
-
-	High-resolution structures of a chitinase complexed with natural product cyclopentapeptide inhibitors: mimicry of carbohydrate substrate.,Houston DR, Shiomi K, Arai N, Omura S, Peter MG, Turberg A, Synstad B, Eijsink VG, van Aalten DM Proc Natl Acad Sci U S A. 2002 Jul 9;99(14):9127-32. Epub 2002 Jul 1. PMID:12093900<ref>PMID:12093900</ref>
-
-	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	</div>
-	<div class="pdbe-citations 1h0i" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
	*[[Chitinase 3D structures\|Chitinase 3D structures]]		*[[Chitinase 3D structures\|Chitinase 3D structures]]
-	== References ==
-	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>

OCA at 06:39, 25 January 2023

OCA — Wed, 25 Jan 2023 06:39:05 GMT

←Older revision		Revision as of 06:39, 25 January 2023
Line 3:		Line 3:
	<StructureSection load='1h0i' size='340' side='right'caption='[[1h0i]], [[Resolution\|resolution]] 2.00Å' scene=''>		<StructureSection load='1h0i' size='340' side='right'caption='[[1h0i]], [[Resolution\|resolution]] 2.00Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[1h0i]] is a 4 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=1H0I OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1H0I FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[1h0i]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Gliocladium Gliocladium] and [https://en.wikipedia.org/wiki/Serratia_marcescens Serratia marcescens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1H0I OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1H0I FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=~~GOL~~:~~GLYCEROL~~'>~~GOL~~</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=DAL:D-ALANINE'>DAL</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=IAS:BETA-L-ASPARTIC+ACID'>IAS</scene>, <scene name='pdbligand=MEA:N-METHYLPHENYLALANINE'>MEA</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=VR0:N~5~-[N-(METHYLCARBAMOYL)CARBAMIMIDOYL]-L-ORNITHINE'>VR0</scene></td></tr>
-	~~<tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat">~~<scene name='pdbligand=~~DAL~~:D-~~ALANINE~~'>~~DAL~~</scene>, <scene name='pdbligand=~~IAS~~:~~BETA~~-~~L-ASPARTIC+ACID~~'>~~IAS~~</scene>, <scene name='pdbligand=~~MEA~~:~~N-METHYLPHENYLALANINE~~'>~~MEA~~</scene>, <scene name='pdbligand=VR0:N~5~-[N-(METHYLCARBAMOYL)CARBAMIMIDOYL]-L-ORNITHINE'>VR0</scene~~></td></tr>~~	+
-	~~<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[1h0g\|1h0g]]</div></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=1h0i FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1h0i OCA], [https://pdbe.org/1h0i PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1h0i RCSB], [https://www.ebi.ac.uk/pdbsum/1h0i PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1h0i 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=1h0i FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1h0i OCA], [https://pdbe.org/1h0i PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1h0i RCSB], [https://www.ebi.ac.uk/pdbsum/1h0i PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1h0i ProSAT]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/CHIB_SERMA CHIB_SERMA]
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
	[[Image:Consurf_key_small.gif\|200px\|right]]		[[Image:Consurf_key_small.gif\|200px\|right]]
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	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Chitinase~~]]	+	[[Category: Gliocladium]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Aalten~~, D M.F~~]]	+	[[Category: Serratia marcescens]]
-	[[Category: Arai, N]]	+	[[Category: Aalten DMF]]
-	[[Category: Eijsink~~, V G.H~~]]	+	[[Category: Arai N]]
-	[[Category: Houston~~, D R~~]]	+	[[Category: Eijsink VGH]]
-	[[Category: Omura, S]]	+	[[Category: Houston DR]]
-	[[Category: Peter~~, M G~~]]	+	[[Category: Omura S]]
-	[[Category: Shiomi, K]]	+	[[Category: Peter MG]]
-	[[Category: Synstad, B]]	+	[[Category: Shiomi K]]
-	[[Category: Turberg, A]]	+	[[Category: Synstad B]]
-	~~[[Category: Argifin]]~~	+	[[Category: Turberg A]]
-	~~[[Category: Chitin degradation]]~~	+
-	~~[[Category: Hydrolase]]~~	+
-	~~[[Category: Hydrolase-hydrolase inhibitor complex]]~~	+
-	~~[[Category: Hydrolase-inhibitor complex]]~~	+
-	~~[[Category: Inhibitor~~]]	+

OCA at 11:30, 28 July 2021

OCA — Wed, 28 Jul 2021 11:30:49 GMT

←Older revision		Revision as of 11:30, 28 July 2021
Line 3:		Line 3:
	<StructureSection load='1h0i' size='340' side='right'caption='[[1h0i]], [[Resolution\|resolution]] 2.00Å' scene=''>		<StructureSection load='1h0i' size='340' side='right'caption='[[1h0i]], [[Resolution\|resolution]] 2.00Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[1h0i]] is a 4 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=1H0I OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=1H0I FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[1h0i]] is a 4 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=1H0I OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1H0I FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=GOL:GLYCEROL'>GOL</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=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
	<tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=DAL:D-ALANINE'>DAL</scene>, <scene name='pdbligand=IAS:BETA-L-ASPARTIC+ACID'>IAS</scene>, <scene name='pdbligand=MEA:N-METHYLPHENYLALANINE'>MEA</scene>, <scene name='pdbligand=VR0:N~5~-[N-(METHYLCARBAMOYL)CARBAMIMIDOYL]-L-ORNITHINE'>VR0</scene></td></tr>		<tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=DAL:D-ALANINE'>DAL</scene>, <scene name='pdbligand=IAS:BETA-L-ASPARTIC+ACID'>IAS</scene>, <scene name='pdbligand=MEA:N-METHYLPHENYLALANINE'>MEA</scene>, <scene name='pdbligand=VR0:N~5~-[N-(METHYLCARBAMOYL)CARBAMIMIDOYL]-L-ORNITHINE'>VR0</scene></td></tr>
-	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1h0g\|1h0g]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[1h0g\|1h0g]]</div></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=1h0i FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1h0i OCA], [~~http~~://pdbe.org/1h0i PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=1h0i RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/1h0i PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=1h0i 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=1h0i FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1h0i OCA], [https://pdbe.org/1h0i PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1h0i RCSB], [https://www.ebi.ac.uk/pdbsum/1h0i PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1h0i ProSAT]</span></td></tr>
	</table>		</table>
	== Evolutionary Conservation ==		== Evolutionary Conservation ==

OCA at 09:18, 23 October 2019

OCA — Wed, 23 Oct 2019 09:18:52 GMT

←Older revision		Revision as of 09:18, 23 October 2019
Line 1:		Line 1:

	==Complex of a chitinase with the natural product cyclopentapeptide argifin from Gliocladium==		==Complex of a chitinase with the natural product cyclopentapeptide argifin from Gliocladium==
-	<StructureSection load='1h0i' size='340' side='right' caption='[[1h0i]], [[Resolution\|resolution]] 2.00Å' scene=''>	+	<StructureSection load='1h0i' size='340' side='right'caption='[[1h0i]], [[Resolution\|resolution]] 2.00Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[1h0i]] is a 4 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=1H0I OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1H0I FirstGlance]. <br>		<table><tr><td colspan='2'>[[1h0i]] is a 4 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=1H0I OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1H0I FirstGlance]. <br>
Line 29:		Line 29:
	</div>		</div>
	<div class="pdbe-citations 1h0i" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 1h0i" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Chitinase 3D structures\|Chitinase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
Line 34:		Line 37:
	</StructureSection>		</StructureSection>
	[[Category: Chitinase]]		[[Category: Chitinase]]
		+	[[Category: Large Structures]]
	[[Category: Aalten, D M.F]]		[[Category: Aalten, D M.F]]
	[[Category: Arai, N]]		[[Category: Arai, N]]

OCA at 06:54, 3 January 2018

OCA — Wed, 03 Jan 2018 06:54:11 GMT

←Older revision		Revision as of 06:54, 3 January 2018
Line 1:		Line 1:
		+
	==Complex of a chitinase with the natural product cyclopentapeptide argifin from Gliocladium==		==Complex of a chitinase with the natural product cyclopentapeptide argifin from Gliocladium==
	<StructureSection load='1h0i' size='340' side='right' caption='[[1h0i]], [[Resolution\|resolution]] 2.00Å' scene=''>		<StructureSection load='1h0i' size='340' side='right' caption='[[1h0i]], [[Resolution\|resolution]] 2.00Å' scene=''>
Line 7:		Line 8:
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1h0g\|1h0g]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1h0g\|1h0g]]</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=1h0i FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1h0i OCA], [http://pdbe.org/1h0i PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=1h0i RCSB], [http://www.ebi.ac.uk/pdbsum/1h0i 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=1h0i FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1h0i OCA], [http://pdbe.org/1h0i PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=1h0i RCSB], [http://www.ebi.ac.uk/pdbsum/1h0i PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=1h0i ProSAT]</span></td></tr>
	</table>		</table>
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
Line 13:		Line 14:
	Check<jmol>		Check<jmol>
	<jmolCheckbox>		<jmolCheckbox>
-	<scriptWhenChecked>select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/h0/1h0i_consurf.spt"</scriptWhenChecked>	+	<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/h0/1h0i_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 28:		Line 29:
	</div>		</div>
	<div class="pdbe-citations 1h0i" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 1h0i" style="background-color:#fffaf0;"></div>
-
-	==See Also==
-	*[[Chitinase\|Chitinase]]
	== References ==		== References ==
	<references/>		<references/>

OCA at 05:40, 10 February 2016

OCA — Wed, 10 Feb 2016 05:40:09 GMT

←Older revision		Revision as of 05:40, 10 February 2016
Line 17:		Line 17:
	<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=1h0i ConSurf].
	<div style="clear:both"></div>		<div style="clear:both"></div>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">

OCA at 05:54, 11 September 2015

OCA — Fri, 11 Sep 2015 05:54:27 GMT

←Older revision		Revision as of 05:54, 11 September 2015
Line 2:		Line 2:
	<StructureSection load='1h0i' size='340' side='right' caption='[[1h0i]], [[Resolution\|resolution]] 2.00Å' scene=''>		<StructureSection load='1h0i' size='340' side='right' caption='[[1h0i]], [[Resolution\|resolution]] 2.00Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[1h0i]] is a 4 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=1H0I OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1H0I FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[1h0i]] is a 4 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=1H0I OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1H0I FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=GOL:GLYCEROL'>GOL</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=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
	<tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=DAL:D-ALANINE'>DAL</scene>, <scene name='pdbligand=IAS:BETA-L-ASPARTIC+ACID'>IAS</scene>, <scene name='pdbligand=MEA:N-METHYLPHENYLALANINE'>MEA</scene>, <scene name='pdbligand=VR0:N~5~-[N-(METHYLCARBAMOYL)CARBAMIMIDOYL]-L-ORNITHINE'>VR0</scene></td></tr>		<tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=DAL:D-ALANINE'>DAL</scene>, <scene name='pdbligand=IAS:BETA-L-ASPARTIC+ACID'>IAS</scene>, <scene name='pdbligand=MEA:N-METHYLPHENYLALANINE'>MEA</scene>, <scene name='pdbligand=VR0:N~5~-[N-(METHYLCARBAMOYL)CARBAMIMIDOYL]-L-ORNITHINE'>VR0</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1h0g\|1h0g]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1h0g\|1h0g]]</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=1h0i FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1h0i OCA], [http://www.rcsb.org/pdb/explore.do?structureId=1h0i RCSB], [http://www.ebi.ac.uk/pdbsum/1h0i 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=1h0i FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1h0i OCA], [http://pdbe.org/1h0i PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=1h0i RCSB], [http://www.ebi.ac.uk/pdbsum/1h0i PDBsum]</span></td></tr>
	</table>		</table>
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
Line 27:		Line 27:
	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 1h0i" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
Line 35:		Line 36:
	</StructureSection>		</StructureSection>
	[[Category: Chitinase]]		[[Category: Chitinase]]
-	[[Category: Serratia marcescens]]
	[[Category: Aalten, D M.F]]		[[Category: Aalten, D M.F]]
	[[Category: Arai, N]]		[[Category: Arai, N]]

OCA at 20:00, 22 December 2014

OCA — Mon, 22 Dec 2014 20:00:56 GMT

←Older revision		Revision as of 20:00, 22 December 2014
Line 3:		Line 3:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[1h0i]] is a 4 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=1H0I OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1H0I FirstGlance]. <br>		<table><tr><td colspan='2'>[[1h0i]] is a 4 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=1H0I OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1H0I FirstGlance]. <br>
-	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene><br>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
-	<tr><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=DAL:D-ALANINE'>DAL</scene>, <scene name='pdbligand=IAS:BETA-L-ASPARTIC+ACID'>IAS</scene>, <scene name='pdbligand=MEA:N-METHYLPHENYLALANINE'>MEA</scene>, <scene name='pdbligand=VR0:N~5~-[N-(METHYLCARBAMOYL)CARBAMIMIDOYL]-L-ORNITHINE'>VR0</scene></td></tr>	+	<tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=DAL:D-ALANINE'>DAL</scene>, <scene name='pdbligand=IAS:BETA-L-ASPARTIC+ACID'>IAS</scene>, <scene name='pdbligand=MEA:N-METHYLPHENYLALANINE'>MEA</scene>, <scene name='pdbligand=VR0:N~5~-[N-(METHYLCARBAMOYL)CARBAMIMIDOYL]-L-ORNITHINE'>VR0</scene></td></tr>
-	<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1h0g\|1h0g]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1h0g\|1h0g]]</td></tr>
-	<tr><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><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1h0i FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1h0i OCA], [http://www.rcsb.org/pdb/explore.do?structureId=1h0i RCSB], [http://www.ebi.ac.uk/pdbsum/1h0i 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=1h0i FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1h0i OCA], [http://www.rcsb.org/pdb/explore.do?structureId=1h0i RCSB], [http://www.ebi.ac.uk/pdbsum/1h0i PDBsum]</span></td></tr>
-	<table>	+	</table>
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
	[[Image:Consurf_key_small.gif\|200px\|right]]		[[Image:Consurf_key_small.gif\|200px\|right]]
Line 36:		Line 36:
	[[Category: Chitinase]]		[[Category: Chitinase]]
	[[Category: Serratia marcescens]]		[[Category: Serratia marcescens]]
-	[[Category: Aalten, D M.F.]]	+	[[Category: Aalten, D M.F]]
-	[[Category: Arai, N.]]	+	[[Category: Arai, N]]
-	[[Category: Eijsink, V G.H.]]	+	[[Category: Eijsink, V G.H]]
-	[[Category: Houston, D R.]]	+	[[Category: Houston, D R]]
-	[[Category: Omura, S.]]	+	[[Category: Omura, S]]
-	[[Category: Peter, M G.]]	+	[[Category: Peter, M G]]
-	[[Category: Shiomi, K.]]	+	[[Category: Shiomi, K]]
-	[[Category: Synstad, B.]]	+	[[Category: Synstad, B]]
-	[[Category: Turberg, A.]]	+	[[Category: Turberg, A]]
	[[Category: Argifin]]		[[Category: Argifin]]
	[[Category: Chitin degradation]]		[[Category: Chitin degradation]]

OCA at 09:51, 28 September 2014

OCA — Sun, 28 Sep 2014 09:51:44 GMT

←Older revision		Revision as of 09:51, 28 September 2014
Line 1:		Line 1:
-	[[~~Image:~~1h0i.~~png~~\|~~left~~\|200px]]	+	==Complex of a chitinase with the natural product cyclopentapeptide argifin from Gliocladium==
		+	<StructureSection load='1h0i' size='340' side='right' caption='[[1h0i]], [[Resolution\|resolution]] 2.00Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[1h0i]] is a 4 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=1H0I OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1H0I FirstGlance]. <br>
		+	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene><br>
		+	<tr><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=DAL:D-ALANINE'>DAL</scene>, <scene name='pdbligand=IAS:BETA-L-ASPARTIC+ACID'>IAS</scene>, <scene name='pdbligand=MEA:N-METHYLPHENYLALANINE'>MEA</scene>, <scene name='pdbligand=VR0:N~5~-[N-(METHYLCARBAMOYL)CARBAMIMIDOYL]-L-ORNITHINE'>VR0</scene></td></tr>
		+	<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1h0g\|1h0g]]</td></tr>
		+	<tr><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><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1h0i FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1h0i OCA], [http://www.rcsb.org/pdb/explore.do?structureId=1h0i RCSB], [http://www.ebi.ac.uk/pdbsum/1h0i 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/h0/1h0i_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 ==
		+	Over the past years, family 18 chitinases have been validated as potential targets for the design of drugs against human pathogens that contain or interact with chitin during their normal life cycles. Thus far, only one potent chitinase inhibitor has been described in detail, the pseudotrisaccharide allosamidin. Recently, however, two potent natural-product cyclopentapeptide chitinase inhibitors, argifin and argadin, were reported. Here, we describe high-resolution crystal structures that reveal the details of the interactions of these cyclopeptides with a family 18 chitinase. The structures are examples of complexes of a carbohydrate-processing enzyme with high-affinity peptide-based inhibitors and show in detail how the peptide backbone and side chains mimic the interactions of the enzyme with chitooligosaccharides. Together with enzymological characterization, the structures explain why argadin shows an order of magnitude stronger inhibition than allosamidin, whereas argifin shows weaker inhibition. The peptides bind to the chitinase in remarkably different ways, which may explain the differences in inhibition constants. The two complexes provide a basis for structure-based design of potent chitinase inhibitors, accessible by standard peptide chemistry.

-	~~{{STRUCTURE_1h0i\| PDB=1h0i \| SCENE= }}~~	+	High-resolution structures of a chitinase complexed with natural product cyclopentapeptide inhibitors: mimicry of carbohydrate substrate.,Houston DR, Shiomi K, Arai N, Omura S, Peter MG, Turberg A, Synstad B, Eijsink VG, van Aalten DM Proc Natl Acad Sci U S A. 2002 Jul 9;99(14):9127-32. Epub 2002 Jul 1. PMID:12093900<ref>PMID:12093900</ref>

-	~~===Complex~~ of ~~a chitinase with~~ the ~~natural product cyclopentapeptide argifin from Gliocladium===~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-		+	</div>
-	~~{{ABSTRACT_PUBMED_12093900}}~~	+
-		+
-	~~==About this Structure==~~	+
-	~~[[1h0i]] is a 4 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=1H0I OCA].~~	+

	==See Also==		==See Also==
	*[[Chitinase\|Chitinase]]		*[[Chitinase\|Chitinase]]
-		+	== References ==
-	==~~Reference~~==	+	<references/>
-	<~~ref group="xtra">PMID:012093900<~~/~~ref~~><~~references group="xtra"~~/>	+	__TOC__
		+	</StructureSection>
	[[Category: Chitinase]]		[[Category: Chitinase]]
	[[Category: Serratia marcescens]]		[[Category: Serratia marcescens]]

OCA at 16:30, 20 October 2012

OCA — Sat, 20 Oct 2012 16:30:57 GMT

←Older revision		Revision as of 16:30, 20 October 2012
Line 8:		Line 8:

	==About this Structure==		==About this Structure==
-	[[1h0i]] is a 4 chain structure ~~of [[Chitinase]]~~ 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=1H0I OCA].	+	[[1h0i]] is a 4 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=1H0I OCA].

	==See Also==		==See Also==