3t1m

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<StructureSection load='3t1m' size='340' side='right'caption='[[3t1m]], [[Resolution|resolution]] 1.55&Aring;' scene=''>
<StructureSection load='3t1m' size='340' side='right'caption='[[3t1m]], [[Resolution|resolution]] 1.55&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[3t1m]] 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=3T1M OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3T1M FirstGlance]. <br>
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<table><tr><td colspan='2'>[[3t1m]] 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=3T1M OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3T1M FirstGlance]. <br>
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</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=DQT:METHYL+3-DEOXY-2-O-(4-METHYLBENZOYL)-3-[(4-METHYLBENZOYL)AMINO]-BETA-D-TALOPYRANOSIDE'>DQT</scene></td></tr>
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</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.55&#8491;</td></tr>
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<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[3t1l|3t1l]], [[3t2t|3t2t]]</div></td></tr>
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<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=DQT:METHYL+3-DEOXY-2-O-(4-METHYLBENZOYL)-3-[(4-METHYLBENZOYL)AMINO]-BETA-D-TALOPYRANOSIDE'>DQT</scene></td></tr>
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<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>
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=3t1m FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3t1m OCA], [https://pdbe.org/3t1m PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3t1m RCSB], [https://www.ebi.ac.uk/pdbsum/3t1m PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3t1m 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=3t1m FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3t1m OCA], [https://pdbe.org/3t1m PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3t1m RCSB], [https://www.ebi.ac.uk/pdbsum/3t1m PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3t1m ProSAT]</span></td></tr>
</table>
</table>
== Function ==
== Function ==
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[[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>
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[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>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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Galectin-1 and galectin-3 have roles in cancer and inflammation. Galectin-1 has recently emerged as a significant protein produced by tumour cells to promote tumour development, angiogenesis and metastasis and consequently represents an important target to inhibit. The design of inhibitors targeting the carbohydrate recognition domain that is known to recognise galactose is an important approach in the fight against cancer. Based on analysis of crystal structures, we pursued the concept that if the galactose were to be replaced with talose (the C2 epimer of galactose) as a scaffold, then O2 substituents would be directed closer to the protein surface and provide opportunity to design inhibitors that are more specific toward particular galectins. Our elucidation of X-ray crystal structures of two of our synthesised talosides in complex with galectin-1 and galectin-3 provide the first atomic information on the interactions of galectins, and indeed any protein, with talosides. These results have enabled a structure-based rationale for the specificity differences shown by galectin-1 and galectin-3 toward these talosides and demonstrate new opportunities for further exploitation as specific inhibitors of galectins.
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Taloside inhibitors of Galectin-1 and Galectin-3.,Collins PM, Oberg CT, Leffler H, Nilsson UJ, Blanchard H Chem Biol Drug Des. 2011 Dec 3. doi: 10.1111/j.1747-0285.2011.01283.x. PMID:22136701<ref>PMID:22136701</ref>
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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</div>
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<div class="pdbe-citations 3t1m" style="background-color:#fffaf0;"></div>
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==See Also==
==See Also==
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__TOC__
__TOC__
</StructureSection>
</StructureSection>
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[[Category: Human]]
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[[Category: Homo sapiens]]
[[Category: Large Structures]]
[[Category: Large Structures]]
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[[Category: Blanchard, H]]
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[[Category: Blanchard H]]
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[[Category: Collins, P M]]
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[[Category: Collins PM]]
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[[Category: Beta sandwich]]
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[[Category: Sugar binding protein-inhibitor complex]]
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Current revision

Crystal structure of human galectin-3 carbohydrate recognition domain in complex with methyl 3-deoxy-2-O-toluoyl-3-N-toluoyl-beta-D-talopyranoside

PDB ID 3t1m

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Proteopedia Page Contributors and Editors (what is this?)

OCA

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