6qln - Revision history

OCA at 12:03, 24 January 2024

OCA — Wed, 24 Jan 2024 12:03:18 GMT

←Older revision		Revision as of 12:03, 24 January 2024
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	<StructureSection load='6qln' size='340' side='right'caption='[[6qln]], [[Resolution\|resolution]] 1.00Å' scene=''>		<StructureSection load='6qln' size='340' side='right'caption='[[6qln]], [[Resolution\|resolution]] 1.00Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6qln]] is a 1 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/~~Human Human~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6QLN OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=6QLN FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6qln]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6QLN OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6QLN FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=J5Q:(2~{R},3~{R},4~{S},5~{R},6~{S})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol'>J5Q</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]] 1Å</td></tr>
-	~~<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">LGALS3, MAC2 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])~~</td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=J5Q:(2~{R},3~{R},4~{S},5~{R},6~{S})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol'>J5Q</scene></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=6qln FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6qln OCA], [~~http~~://pdbe.org/6qln PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=6qln RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/6qln PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=6qln 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=6qln FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6qln OCA], [https://pdbe.org/6qln PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6qln RCSB], [https://www.ebi.ac.uk/pdbsum/6qln PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6qln ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[~~[http~~://www.uniprot.org/uniprot/LEG3_HUMAN LEG3_HUMAN]] Galactose-specific lectin which binds IgE. May mediate with the alpha-3, beta-1 integrin the stimulation by CSPG4 of endothelial cells migration. Together with DMBT1, required for terminal differentiation of columnar epithelial cells during early embryogenesis (By similarity). In the nucleus: acts as a pre-mRNA splicing factor. Involved in acute inflammatory responses including neutrophil activation and adhesion, chemoattraction of monocytes macrophages, opsonization of apoptotic neutrophils, and activation of mast cells.<ref>PMID:15181153</ref> <ref>PMID:19594635</ref> <ref>PMID:19616076</ref>	+	[https://www.uniprot.org/uniprot/LEG3_HUMAN LEG3_HUMAN] Galactose-specific lectin which binds IgE. May mediate with the alpha-3, beta-1 integrin the stimulation by CSPG4 of endothelial cells migration. Together with DMBT1, required for terminal differentiation of columnar epithelial cells during early embryogenesis (By similarity). In the nucleus: acts as a pre-mRNA splicing factor. Involved in acute inflammatory responses including neutrophil activation and adhesion, chemoattraction of monocytes macrophages, opsonization of apoptotic neutrophils, and activation of mast cells.<ref>PMID:15181153</ref> <ref>PMID:19594635</ref> <ref>PMID:19616076</ref>
	<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 6qln" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 6qln" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Galectin 3D structures\|Galectin 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Human~~]]	+	[[Category: Homo sapiens]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Kumar, R]]	+	[[Category: Kumar R]]
-	[[Category: Logan~~, D T~~]]	+	[[Category: Logan DT]]
-	[[Category: Nilsson~~, U J~~]]	+	[[Category: Nilsson UJ]]
-	[[Category: Peterson, K]]	+	[[Category: Peterson K]]
-	~~[[Category: Carbohydrate-binding protein]]~~	+
-	~~[[Category: Galactose-specific lectin 3]]~~	+
-	~~[[Category: Galactoside-binding protein]]~~	+
-	~~[[Category: Galbp]]~~	+
-	~~[[Category: Ige-6 binding protein]]~~	+
-	~~[[Category: L-31]]~~	+
-	~~[[Category: Laminin-binding protein]]~~	+
-	~~[[Category: Lectin]]~~	+
-	~~[[Category: Lectin l-29]]~~	+
-	~~[[Category: Mac-2]]~~	+
-	~~[[Category: Sugar binding protein~~]]	+

OCA at 16:06, 28 August 2019

OCA — Wed, 28 Aug 2019 16:06:48 GMT

←Older revision		Revision as of 16:06, 28 August 2019
Line 3:		Line 3:
	<StructureSection load='6qln' size='340' side='right'caption='[[6qln]], [[Resolution\|resolution]] 1.00Å' scene=''>		<StructureSection load='6qln' size='340' side='right'caption='[[6qln]], [[Resolution\|resolution]] 1.00Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6qln]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6QLN OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6QLN FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6qln]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6QLN OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6QLN FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=J5Q:(2~{R},3~{R},4~{S},5~{R},6~{S})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol'>J5Q</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=J5Q:(2~{R},3~{R},4~{S},5~{R},6~{S})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol'>J5Q</scene></td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">LGALS3, MAC2 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</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=6qln FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6qln OCA], [http://pdbe.org/6qln PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6qln RCSB], [http://www.ebi.ac.uk/pdbsum/6qln PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6qln 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=6qln FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6qln OCA], [http://pdbe.org/6qln PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6qln RCSB], [http://www.ebi.ac.uk/pdbsum/6qln PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6qln ProSAT]</span></td></tr>
	</table>		</table>
Line 22:		Line 23:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Human]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
	[[Category: Kumar, R]]		[[Category: Kumar, R]]

OCA at 05:54, 10 July 2019

OCA — Wed, 10 Jul 2019 05:54:39 GMT

←Older revision		Revision as of 05:54, 10 July 2019
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 6qln is ~~ON HOLD~~	+	==Galectin-3C in complex with fluoroaryl triazole monothiogalactoside derivative 2==
		+	<StructureSection load='6qln' size='340' side='right'caption='[[6qln]], [[Resolution\|resolution]] 1.00Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[6qln]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6QLN OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6QLN FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=J5Q:(2~{R},3~{R},4~{S},5~{R},6~{S})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol'>J5Q</scene></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=6qln FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6qln OCA], [http://pdbe.org/6qln PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6qln RCSB], [http://www.ebi.ac.uk/pdbsum/6qln PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6qln ProSAT]</span></td></tr>
		+	</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/LEG3_HUMAN LEG3_HUMAN]] Galactose-specific lectin which binds IgE. May mediate with the alpha-3, beta-1 integrin the stimulation by CSPG4 of endothelial cells migration. Together with DMBT1, required for terminal differentiation of columnar epithelial cells during early embryogenesis (By similarity). In the nucleus: acts as a pre-mRNA splicing factor. Involved in acute inflammatory responses including neutrophil activation and adhesion, chemoattraction of monocytes macrophages, opsonization of apoptotic neutrophils, and activation of mast cells.<ref>PMID:15181153</ref> <ref>PMID:19594635</ref> <ref>PMID:19616076</ref>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Multipolar fluorine-amide interactions with backbone and side-chain amides have been described as important for protein-ligand interactions and have been used to improve the potency of synthetic inhibitors. In this study, fluorine interactions within a well-defined binding pocket on galectin-3 are investigated systematically using phenyltriazolyl-thiogalactosides fluorinated singly or multiply at different positions on the phenyl ring. X-ray structures of the C-terminal domain of galectin-3 in complex with eight of these ligands revealed potential orthogonal fluorine-amide interactions with backbone amides and one with a side-chain amide. The two interactions involving main chain amides seem to have a strong influence on affinity as determined by fluorescence anisotropy. In contrast, the interaction with the side-chain amide did not influence affinity. Quantum mechanics calculations were used to analyse the relative contributions of these interactions to the binding energies. No clear correlation could be found between the relative energies of the fluorine-main chain amide interactions and the overall binding energy. Instead, dispersion and desolvation effects play a larger role. The results confirm that the contribution of fluorine-amide interactions to protein-ligand interactions cannot simply be predicted, on geometrical considerations alone, but require careful consideration of the energetic components.

-	~~Authors: Kumar~~, R., ~~Peterson~~, K., ~~Nilsson~~, U~~.J.~~, ~~Logan~~, D.T.	+	Structure and energetics of ligand-fluorine interactions with galectin-3 backbone and side-chain amides - insight into solvation effects and multipolar interactions.,Kumar R, Ignjatovic MM, Peterson K, Olsson M, Leffler H, Ryde U, Nilsson UJ, Logan DT ChemMedChem. 2019 Jun 27. doi: 10.1002/cmdc.201900293. PMID:31246331<ref>PMID:31246331</ref>

-	~~Description: Galectin-3C in complex with fluoroaryl triazole monothiogalactoside derivative 2~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	~~[[Category~~: ~~Unreleased Structures]]~~	+	</div>
-	[[Category: ~~Logan, D.T~~]]	+	<div class="pdbe-citations 6qln" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Large Structures]]
	[[Category: Kumar, R]]		[[Category: Kumar, R]]
		+	[[Category: Logan, D T]]
		+	[[Category: Nilsson, U J]]
	[[Category: Peterson, K]]		[[Category: Peterson, K]]
-	[[Category: ~~Nilsson, U.J~~]]	+	[[Category: Carbohydrate-binding protein]]
		+	[[Category: Galactose-specific lectin 3]]
		+	[[Category: Galactoside-binding protein]]
		+	[[Category: Galbp]]
		+	[[Category: Ige-6 binding protein]]
		+	[[Category: L-31]]
		+	[[Category: Laminin-binding protein]]
		+	[[Category: Lectin]]
		+	[[Category: Lectin l-29]]
		+	[[Category: Mac-2]]
		+	[[Category: Sugar binding protein]]

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

OCA — Wed, 13 Feb 2019 08:03:54 GMT

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

←Older revision

Revision as of 08:03, 13 February 2019

OCA: New page: '''Unreleased structure''' The entry 6qln is ON HOLD Authors: Kumar, R., Peterson, K., Nilsson, U.J., Logan, D.T. Description: Galectin-3C in complex with fluoroaryl triazole monothiog...

OCA — Wed, 13 Feb 2019 08:03:51 GMT

New page: '''Unreleased structure''' The entry 6qln is ON HOLD Authors: Kumar, R., Peterson, K., Nilsson, U.J., Logan, D.T. Description: Galectin-3C in complex with fluoroaryl triazole monothiog...

New page

'''Unreleased structure'''

The entry 6qln is ON HOLD

Authors: Kumar, R., Peterson, K., Nilsson, U.J., Logan, D.T.

Description: Galectin-3C in complex with fluoroaryl triazole monothiogalactoside derivative 2
[[Category: Unreleased Structures]]
[[Category: Logan, D.T]]
[[Category: Kumar, R]]
[[Category: Peterson, K]]
[[Category: Nilsson, U.J]]