4r9b - Revision history

OCA at 19:24, 29 May 2024

OCA — Wed, 29 May 2024 19:24:46 GMT

←Older revision		Revision as of 19:24, 29 May 2024
Line 1:		Line 1:

	==Crystal structure of Human galectin-3 CRD in complex with lactose (pH 7.0, PEG 6000)==		==Crystal structure of Human galectin-3 CRD in complex with lactose (pH 7.0, PEG 6000)==
-	<StructureSection load='4r9b' size='340' side='right'caption='[[4r9b]]' scene=''>	+	<StructureSection load='4r9b' size='340' side='right'caption='[[4r9b]], [[Resolution\|resolution]] 1.20Å' 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=4R9B OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4R9B FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[4r9b]] 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=4R9B OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4R9B FirstGlance]. <br>
-	</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=4r9b FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4r9b OCA], [https://pdbe.org/4r9b PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4r9b RCSB], [https://www.ebi.ac.uk/pdbsum/4r9b PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4r9b ProSAT]</span></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]] 1.2Å</td></tr>
		+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=BGC:BETA-D-GLUCOSE'>BGC</scene>, <scene name='pdbligand=GAL:BETA-D-GALACTOSE'>GAL</scene>, <scene name='pdbligand=PRD_900004:beta-lactose'>PRD_900004</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=4r9b FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4r9b OCA], [https://pdbe.org/4r9b PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4r9b RCSB], [https://www.ebi.ac.uk/pdbsum/4r9b PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4r9b 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 ==
		+	Galectin-3 (Gal-3) which shows affinity of beta-galactosides is a cancer-related protein. Thus, it is important to understand its ligand binding mechanism and then design its specific inhibitor. It was suggested that the positions of water molecules in Gal-3 ligand-binding site could be replaced by appropriate chemical groups of ideal inhibitors. However, the reported structures of Gal-3 carbohydrate recognition domain (CRD) complexed with lactose showed that the number of water molecules are different and the water positions are inconsistent in the ligand-binding site. This study reported four high-resolution (1.24-1.19 A) structures of Gal-3 CRD complexed with lactose, and accurately located 12 conserved water molecules in the water network of Gal-3 CRD ligand-binding site by merging these structures. These water molecules either directly stabilize the binding of Gal-3 CRD and lactose, or hold the former water molecules at the right place. In particular, water molecule 4 (W4) which only coordinates with water molecule 5 (W5) and water molecule 6 (W6) plays a key role in stabilizing galactose residue. In addition, by three-dimensional alignment of the positions of all residues, 14 flexible parts of Gal-3 CRD were found to dynamically fluctuate in the crystalline environment.
		+
		+	The water network in galectin-3 ligand binding site guides inhibitor design.,Su J, Zhang T, Wang P, Liu F, Tai G, Zhou Y Acta Biochim Biophys Sin (Shanghai). 2015 Mar;47(3):192-8. doi:, 10.1093/abbs/gmu132. Epub 2015 Feb 5. PMID:25662390<ref>PMID:25662390</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 4r9b" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
	*[[Galectin 3D structures\|Galectin 3D structures]]		*[[Galectin 3D structures\|Galectin 3D structures]]
		+	== References ==
		+	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Homo sapiens]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
	[[Category: Su JY]]		[[Category: Su JY]]

OCA at 10:58, 31 August 2022

OCA — Wed, 31 Aug 2022 10:58:19 GMT

←Older revision		Revision as of 10:58, 31 August 2022
Line 1:		Line 1:

	==Crystal structure of Human galectin-3 CRD in complex with lactose (pH 7.0, PEG 6000)==		==Crystal structure of Human galectin-3 CRD in complex with lactose (pH 7.0, PEG 6000)==
-	<StructureSection load='4r9b' size='340' side='right'caption='[[4r9b]]~~, [[Resolution\|resolution]] 1.20Å~~' scene=''>	+	<StructureSection load='4r9b' size='340' side='right'caption='[[4r9b]]' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>~~[[4r9b]] is a 1 chain structure.~~ Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4R9B OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4R9B FirstGlance]. <br>	+	<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4R9B OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4R9B FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=BGC:BETA-D-GLUCOSE'>BGC</scene>, <scene name='pdbligand=GAL:BETA-D-GALACTOSE'>GAL</scene></td></tr>	+	</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=4r9b FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4r9b OCA], [https://pdbe.org/4r9b PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4r9b RCSB], [https://www.ebi.ac.uk/pdbsum/4r9b PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4r9b ProSAT]</span></td></tr>
-	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[4r9a\|4r9a]], [[4r9c\|4r9c]], [[4r9d\|4r9d]], [[4rl7\|4rl7]]</div></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=4r9b FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4r9b OCA], [https://pdbe.org/4r9b PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4r9b RCSB], [https://www.ebi.ac.uk/pdbsum/4r9b PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4r9b 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 ==
-	Galectin-3 (Gal-3) which shows affinity of beta-galactosides is a cancer-related protein. Thus, it is important to understand its ligand binding mechanism and then design its specific inhibitor. It was suggested that the positions of water molecules in Gal-3 ligand-binding site could be replaced by appropriate chemical groups of ideal inhibitors. However, the reported structures of Gal-3 carbohydrate recognition domain (CRD) complexed with lactose showed that the number of water molecules are different and the water positions are inconsistent in the ligand-binding site. This study reported four high-resolution (1.24-1.19 A) structures of Gal-3 CRD complexed with lactose, and accurately located 12 conserved water molecules in the water network of Gal-3 CRD ligand-binding site by merging these structures. These water molecules either directly stabilize the binding of Gal-3 CRD and lactose, or hold the former water molecules at the right place. In particular, water molecule 4 (W4) which only coordinates with water molecule 5 (W5) and water molecule 6 (W6) plays a key role in stabilizing galactose residue. In addition, by three-dimensional alignment of the positions of all residues, 14 flexible parts of Gal-3 CRD were found to dynamically fluctuate in the crystalline environment.
-
-	The water network in galectin-3 ligand binding site guides inhibitor design.,Su J, Zhang T, Wang P, Liu F, Tai G, Zhou Y Acta Biochim Biophys Sin (Shanghai). 2015 Mar;47(3):192-8. doi:, 10.1093/abbs/gmu132. Epub 2015 Feb 5. PMID:25662390<ref>PMID:25662390</ref>
-
-	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	</div>
-	<div class="pdbe-citations 4r9b" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
	*[[Galectin 3D structures\|Galectin 3D structures]]		*[[Galectin 3D structures\|Galectin 3D structures]]
-	== References ==
-	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Su~~, J Y]]~~	+	[[Category: Su JY]]
-	~~[[Category: Sugar binding protein~~]]	+

OCA at 05:08, 25 August 2022

OCA — Thu, 25 Aug 2022 05:08:22 GMT

←Older revision		Revision as of 05:08, 25 August 2022
Line 3:		Line 3:
	<StructureSection load='4r9b' size='340' side='right'caption='[[4r9b]], [[Resolution\|resolution]] 1.20Å' scene=''>		<StructureSection load='4r9b' size='340' side='right'caption='[[4r9b]], [[Resolution\|resolution]] 1.20Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4r9b]] 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=4R9B OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=4R9B FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[4r9b]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4R9B OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4R9B FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=~~LAT~~:BETA-~~LACTOSE~~'>~~LAT~~</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=BGC:BETA-D-GLUCOSE'>BGC</scene>, <scene name='pdbligand=GAL:BETA-D-GALACTOSE'>GAL</scene></td></tr>
-	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4r9a\|4r9a]], [[4r9c\|4r9c]], [[4r9d\|4r9d]], [[4rl7\|4rl7]]</td>~~</tr>~~	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[4r9a\|4r9a]], [[4r9c\|4r9c]], [[4r9d\|4r9d]], [[4rl7\|4rl7]]</div></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'>[https://proteopedia.org/fgij/fg.htm?mol=4r9b FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4r9b OCA], [https://pdbe.org/4r9b PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4r9b RCSB], [https://www.ebi.ac.uk/pdbsum/4r9b PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4r9b 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=4r9b FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4r9b OCA], [~~http~~://pdbe.org/4r9b PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=4r9b RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/4r9b PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=4r9b 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 ==
Line 22:		Line 21:

	==See Also==		==See Also==
-	*[[Galectin\|Galectin]]	+	*[[Galectin 3D structures\|Galectin 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: Human]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
	[[Category: Su, J Y]]		[[Category: Su, J Y]]
	[[Category: Sugar binding protein]]		[[Category: Sugar binding protein]]

OCA at 10:37, 1 May 2019

OCA — Wed, 01 May 2019 10:37:41 GMT

←Older revision		Revision as of 10:37, 1 May 2019
Line 1:		Line 1:

	==Crystal structure of Human galectin-3 CRD in complex with lactose (pH 7.0, PEG 6000)==		==Crystal structure of Human galectin-3 CRD in complex with lactose (pH 7.0, PEG 6000)==
-	<StructureSection load='4r9b' size='340' side='right' caption='[[4r9b]], [[Resolution\|resolution]] 1.20Å' scene=''>	+	<StructureSection load='4r9b' size='340' side='right'caption='[[4r9b]], [[Resolution\|resolution]] 1.20Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4r9b]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4R9B OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4R9B FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[4r9b]] 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=4R9B OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4R9B FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=LAT:BETA-LACTOSE'>LAT</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=LAT:BETA-LACTOSE'>LAT</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4r9a\|4r9a]], [[4r9c\|4r9c]], [[4r9d\|4r9d]], [[4rl7\|4rl7]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4r9a\|4r9a]], [[4r9c\|4r9c]], [[4r9d\|4r9d]], [[4rl7\|4rl7]]</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=4r9b FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4r9b OCA], [http://pdbe.org/4r9b PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4r9b RCSB], [http://www.ebi.ac.uk/pdbsum/4r9b PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4r9b 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=4r9b FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4r9b OCA], [http://pdbe.org/4r9b PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4r9b RCSB], [http://www.ebi.ac.uk/pdbsum/4r9b PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4r9b ProSAT]</span></td></tr>
	</table>		</table>
Line 26:		Line 27:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Human]]
		+	[[Category: Large Structures]]
	[[Category: Su, J Y]]		[[Category: Su, J Y]]
	[[Category: Sugar binding protein]]		[[Category: Sugar binding protein]]

OCA at 17:33, 18 January 2017

OCA — Wed, 18 Jan 2017 17:33:06 GMT

←Older revision		Revision as of 17:33, 18 January 2017
Line 1:		Line 1:
		+
	==Crystal structure of Human galectin-3 CRD in complex with lactose (pH 7.0, PEG 6000)==		==Crystal structure of Human galectin-3 CRD in complex with lactose (pH 7.0, PEG 6000)==
	<StructureSection load='4r9b' size='340' side='right' caption='[[4r9b]], [[Resolution\|resolution]] 1.20Å' scene=''>		<StructureSection load='4r9b' size='340' side='right' caption='[[4r9b]], [[Resolution\|resolution]] 1.20Å' scene=''>
Line 5:		Line 6:
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=LAT:BETA-LACTOSE'>LAT</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=LAT:BETA-LACTOSE'>LAT</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4r9a\|4r9a]], [[4r9c\|4r9c]], [[4r9d\|4r9d]], [[4rl7\|4rl7]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4r9a\|4r9a]], [[4r9c\|4r9c]], [[4r9d\|4r9d]], [[4rl7\|4rl7]]</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=4r9b FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4r9b OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4r9b RCSB], [http://www.ebi.ac.uk/pdbsum/4r9b 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=4r9b FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4r9b OCA], [http://pdbe.org/4r9b PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4r9b RCSB], [http://www.ebi.ac.uk/pdbsum/4r9b PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4r9b ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
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 4r9b" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Galectin\|Galectin]]
	== References ==		== References ==
	<references/>		<references/>

OCA at 11:51, 11 March 2015

OCA — Wed, 11 Mar 2015 11:51:07 GMT

←Older revision		Revision as of 11:51, 11 March 2015
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-	'''~~Unreleased~~ structure'''	+	==Crystal structure of Human galectin-3 CRD in complex with lactose (pH 7.0, PEG 6000)==
		+	<StructureSection load='4r9b' size='340' side='right' caption='[[4r9b]], [[Resolution\|resolution]] 1.20Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[4r9b]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4R9B OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4R9B FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=LAT:BETA-LACTOSE'>LAT</scene></td></tr>
		+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4r9a\|4r9a]], [[4r9c\|4r9c]], [[4r9d\|4r9d]], [[4rl7\|4rl7]]</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=4r9b FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4r9b OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4r9b RCSB], [http://www.ebi.ac.uk/pdbsum/4r9b PDBsum]</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 ==
		+	Galectin-3 (Gal-3) which shows affinity of beta-galactosides is a cancer-related protein. Thus, it is important to understand its ligand binding mechanism and then design its specific inhibitor. It was suggested that the positions of water molecules in Gal-3 ligand-binding site could be replaced by appropriate chemical groups of ideal inhibitors. However, the reported structures of Gal-3 carbohydrate recognition domain (CRD) complexed with lactose showed that the number of water molecules are different and the water positions are inconsistent in the ligand-binding site. This study reported four high-resolution (1.24-1.19 A) structures of Gal-3 CRD complexed with lactose, and accurately located 12 conserved water molecules in the water network of Gal-3 CRD ligand-binding site by merging these structures. These water molecules either directly stabilize the binding of Gal-3 CRD and lactose, or hold the former water molecules at the right place. In particular, water molecule 4 (W4) which only coordinates with water molecule 5 (W5) and water molecule 6 (W6) plays a key role in stabilizing galactose residue. In addition, by three-dimensional alignment of the positions of all residues, 14 flexible parts of Gal-3 CRD were found to dynamically fluctuate in the crystalline environment.

-	The ~~entry 4r9b is ON HOLD until Paper Publication~~	+	The water network in galectin-3 ligand binding site guides inhibitor design.,Su J, Zhang T, Wang P, Liu F, Tai G, Zhou Y Acta Biochim Biophys Sin (Shanghai). 2015 Mar;47(3):192-8. doi:, 10.1093/abbs/gmu132. Epub 2015 Feb 5. PMID:25662390<ref>PMID:25662390</ref>

-	~~Authors: Su~~, J.Y.	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-		+	</div>
-	~~Description: Crystal structure~~ of ~~Human galectin-3 CRD in complex with lactose (pH 7~~.~~0, PEG 6000)~~	+	== References ==
-	[[Category: ~~Unreleased Structures~~]]	+	<references/>
-	[[Category: ~~Su, J.Y~~]]	+	__TOC__
		+	</StructureSection>
		+	[[Category: Su, J Y]]
		+	[[Category: Sugar binding protein]]

OCA at 16:39, 24 December 2014

OCA — Wed, 24 Dec 2014 16:39:07 GMT

←Older revision		Revision as of 16:39, 24 December 2014
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	Description: Crystal structure of Human galectin-3 CRD in complex with lactose (pH 7.0, PEG 6000)		Description: Crystal structure of Human galectin-3 CRD in complex with lactose (pH 7.0, PEG 6000)
		+	[[Category: Unreleased Structures]]
		+	[[Category: Su, J.Y]]

OCA at 08:26, 24 September 2014

OCA — Wed, 24 Sep 2014 08:26:42 GMT

←Older revision		Revision as of 08:26, 24 September 2014
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	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 4r9b is ON HOLD	+	The entry 4r9b is ON HOLD until Paper Publication

-	Authors: Su, J. Y.	+	Authors: Su, J.Y.

	Description: Crystal structure of Human galectin-3 CRD in complex with lactose (pH 7.0, PEG 6000)		Description: Crystal structure of Human galectin-3 CRD in complex with lactose (pH 7.0, PEG 6000)

OCA: Protected "4r9b" [edit=sysop:move=sysop]

OCA — Wed, 10 Sep 2014 08:27:42 GMT

Protected "4r9b" [edit=sysop:move=sysop]

←Older revision

Revision as of 08:27, 10 September 2014

OCA: New page: '''Unreleased structure''' The entry 4r9b is ON HOLD Authors: Su, J. Y. Description: Crystal structure of Human galectin-3 CRD in complex with lactose (pH 7.0, PEG 6000)

OCA — Wed, 10 Sep 2014 08:27:40 GMT

New page: '''Unreleased structure''' The entry 4r9b is ON HOLD Authors: Su, J. Y. Description: Crystal structure of Human galectin-3 CRD in complex with lactose (pH 7.0, PEG 6000)

New page

'''Unreleased structure'''

The entry 4r9b is ON HOLD

Authors: Su, J. Y.

Description: Crystal structure of Human galectin-3 CRD in complex with lactose (pH 7.0, PEG 6000)