6tf7 - Revision history

OCA at 13:01, 24 January 2024

OCA — Wed, 24 Jan 2024 13:01:09 GMT

←Older revision		Revision as of 13:01, 24 January 2024
Line 3:		Line 3:
	<StructureSection load='6tf7' size='340' side='right'caption='[[6tf7]], [[Resolution\|resolution]] 1.40Å' scene=''>		<StructureSection load='6tf7' size='340' side='right'caption='[[6tf7]], [[Resolution\|resolution]] 1.40Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6tf7]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/~~Human Human~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6TF7 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6TF7 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6tf7]] 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=6TF7 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6TF7 FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=N6B:4-fluoranyl-~{N}-[[(2~{S},3~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-3,5-bis(oxidanyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxan-2-yl]methyl]naphthalene-1-carboxamide'>N6B</scene>, <scene name='pdbligand=SCN:THIOCYANATE+ION'>SCN</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]] 1.4Å</td></tr>
-	~~<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">LGALS3, MAC2 ([https://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=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=N6B:4-fluoranyl-~{N}-[[(2~{S},3~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-3,5-bis(oxidanyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxan-2-yl]methyl]naphthalene-1-carboxamide'>N6B</scene>, <scene name='pdbligand=SCN:THIOCYANATE+ION'>SCN</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=6tf7 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6tf7 OCA], [https://pdbe.org/6tf7 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6tf7 RCSB], [https://www.ebi.ac.uk/pdbsum/6tf7 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6tf7 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=6tf7 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6tf7 OCA], [https://pdbe.org/6tf7 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6tf7 RCSB], [https://www.ebi.ac.uk/pdbsum/6tf7 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6tf7 ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[[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>	+	[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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	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Human~~]]	+	[[Category: Homo sapiens]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Hakansson, M]]	+	[[Category: Hakansson M]]
-	[[Category: Logan~~, D T~~]]	+	[[Category: Logan DT]]
-	[[Category: Nilsson~~, U J~~]]	+	[[Category: Nilsson UJ]]
-	[[Category: Zetterberg, F]]	+	[[Category: Zetterberg F]]
-	~~[[Category: Sugar binding protein~~]]	+

OCA at 06:24, 1 December 2021

OCA — Wed, 01 Dec 2021 06:24:48 GMT

←Older revision		Revision as of 06:24, 1 December 2021
Line 1:		Line 1:

	==Human galectin-3c in complex with a galactose derivative==		==Human galectin-3c in complex with a galactose derivative==
-	<StructureSection load='6tf7' size='340' side='right'caption='[[6tf7]]' scene=''>	+	<StructureSection load='6tf7' size='340' side='right'caption='[[6tf7]], [[Resolution\|resolution]] 1.40Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6TF7 OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://proteopedia.org/fgij/fg.htm?mol=6TF7 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6tf7]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6TF7 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6TF7 FirstGlance]. <br>
-	</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=6tf7 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6tf7 OCA], [~~http~~://pdbe.org/6tf7 PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=6tf7 RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/6tf7 PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=6tf7 ProSAT]</span></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=N6B:4-fluoranyl-~{N}-[[(2~{S},3~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-3,5-bis(oxidanyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxan-2-yl]methyl]naphthalene-1-carboxamide'>N6B</scene>, <scene name='pdbligand=SCN:THIOCYANATE+ION'>SCN</scene></td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">LGALS3, MAC2 ([https://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'>[https://proteopedia.org/fgij/fg.htm?mol=6tf7 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6tf7 OCA], [https://pdbe.org/6tf7 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6tf7 RCSB], [https://www.ebi.ac.uk/pdbsum/6tf7 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6tf7 ProSAT]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[[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;">
		+	== Publication Abstract from PubMed ==
		+	The galectins are a family of galactose-binding proteins playing key roles in inflammatory processes and cancer. However, they are structurally very closely related, and discovery of highly selective inhibitors is challenging. In this work, we report the design of novel inhibitors binding to a subsite unique to galectin-3, which confers both high selectivity and affinity towards galectin-3. Olefin cross metathesis between allyl beta-C-galactopyranosyl and 1-vinylnaphthalenes or acylation of aminomethyl beta-C-galactopyranosyl with 1-naphthoic acid derivatives gave C-galactopyranosyls carrying 1-naphthamide structural elements that interacted favorably with a galectin-3 unique subsite according to molecular modeling and X-ray structural analysis of two inhibitor-galectin-3 complexes. Affinities were down to sub-microM and selectivities over galectin-1, 2, 4 N-terminal domain, 4 C-terminal domain, 7, 8 N-terminal domain, 9 N-terminal domain, and 9 C-terminal domain were high. These results show that high affinity and selectivity for a single galectin can be achieved by targeting unique subsites, which holds promise for further development of small and selective galectin inhibitors.
		+
		+	3-Substituted 1-Naphthamidomethyl-C-galactosyls Interact with Two Unique Sub-sites for High-Affinity and High-Selectivity Inhibition of Galectin-3.,Dahlqvist A, Mandal S, Peterson K, Hakansson M, Logan DT, Zetterberg FR, Leffler H, Nilsson UJ Molecules. 2019 Dec 12;24(24). pii: molecules24244554. doi:, 10.3390/molecules24244554. PMID:31842451<ref>PMID:31842451</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 6tf7" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Galectin 3D structures\|Galectin 3D structures]]
		+	== References ==
		+	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Human]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Hakansson M]]	+	[[Category: Hakansson, M]]
-	[[Category: Logan DT]]	+	[[Category: Logan, D T]]
-	[[Category: Nilsson UJ]]	+	[[Category: Nilsson, U J]]
-	[[Category: Zetterberg F]]	+	[[Category: Zetterberg, F]]
		+	[[Category: Sugar binding protein]]

OCA at 09:36, 18 November 2020

OCA — Wed, 18 Nov 2020 09:36:04 GMT

←Older revision		Revision as of 09:36, 18 November 2020
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-	'''Unreleased structure'''

-	~~The entry~~ 6tf7 ~~is ON HOLD until Paper Publication~~	+	==Human galectin-3c in complex with a galactose derivative==
-		+	<StructureSection load='6tf7' size='340' side='right'caption='[[6tf7]]' scene=''>
-	~~Authors~~: ~~Nilsson~~, U.J., ~~Zetterberg~~, F., ~~Hakansson, M~~., ~~Logan, D~~.T.	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6TF7 OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=6TF7 FirstGlance]. <br>
-	~~Description: Human galectin-3c in complex with a galactose derivative~~	+	</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=6tf7 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6tf7 OCA], [http://pdbe.org/6tf7 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6tf7 RCSB], [http://www.ebi.ac.uk/pdbsum/6tf7 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6tf7 ProSAT]</span></td></tr>
-	[[Category: ~~Unreleased~~ Structures]]	+	</table>
-	[[Category: ~~Logan, D.T~~]]	+	__TOC__
-	[[Category: ~~Zetterberg, F~~]]	+	</StructureSection>
-	[[Category: Nilsson~~, U.J~~]]	+	[[Category: Large Structures]]
-	[[Category: ~~Hakansson, M~~]]	+	[[Category: Hakansson M]]
		+	[[Category: Logan DT]]
		+	[[Category: Nilsson UJ]]
		+	[[Category: Zetterberg F]]

OCA at 06:13, 22 July 2020

OCA — Wed, 22 Jul 2020 06:13:44 GMT

←Older revision		Revision as of 06:13, 22 July 2020
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 6tf7 is ON HOLD	+	The entry 6tf7 is ON HOLD until Paper Publication

	Authors: Nilsson, U.J., Zetterberg, F., Hakansson, M., Logan, D.T.		Authors: Nilsson, U.J., Zetterberg, F., Hakansson, M., Logan, D.T.

OCA: Protected "6tf7" [edit=sysop:move=sysop]

OCA — Wed, 20 Nov 2019 13:42:00 GMT

Protected "6tf7" [edit=sysop:move=sysop]

←Older revision

Revision as of 13:42, 20 November 2019

OCA: New page: '''Unreleased structure''' The entry 6tf7 is ON HOLD Authors: Nilsson, U.J., Zetterberg, F., Hakansson, M., Logan, D.T. Description: Human galectin-3c in complex with a galactose deriv...

OCA — Wed, 20 Nov 2019 13:41:58 GMT

New page: '''Unreleased structure''' The entry 6tf7 is ON HOLD Authors: Nilsson, U.J., Zetterberg, F., Hakansson, M., Logan, D.T. Description: Human galectin-3c in complex with a galactose deriv...

New page

'''Unreleased structure'''

The entry 6tf7 is ON HOLD

Authors: Nilsson, U.J., Zetterberg, F., Hakansson, M., Logan, D.T.

Description: Human galectin-3c in complex with a galactose derivative
[[Category: Unreleased Structures]]
[[Category: Logan, D.T]]
[[Category: Zetterberg, F]]
[[Category: Nilsson, U.J]]
[[Category: Hakansson, M]]