5tg3: Difference between revisions
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==Crystal Structure of Dioclea reflexa seed lectin (DrfL) in complex with X-Man== | ==Crystal Structure of Dioclea reflexa seed lectin (DrfL) in complex with X-Man== | ||
<StructureSection load='5tg3' size='340' side='right' caption='[[5tg3]], [[Resolution|resolution]] 1.77Å' scene=''> | <StructureSection load='5tg3' size='340' side='right'caption='[[5tg3]], [[Resolution|resolution]] 1.77Å' scene=''> | ||
== Structural highlights == | == Structural highlights == | ||
<table><tr><td colspan='2'>[[5tg3]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/Dioclea_reflexa Dioclea reflexa]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5TG3 OCA]. For a <b>guided tour on the structure components</b> use [http:// | <table><tr><td colspan='2'>[[5tg3]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/Dioclea_reflexa Dioclea reflexa]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5TG3 OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=5TG3 FirstGlance]. <br> | ||
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=MN:MANGANESE+(II)+ION'>MN</scene>, <scene name='pdbligand=XMM:(2R,3S,4S,5S,6R)-2-(5-BROMO-4-CHLORO-1H-INDOL-3-YLOXY)-TETRAHYDRO-6-(HYDROXYMETHYL)-2H-PYRAN-3,4,5-TRIOL'>XMM</scene></td></tr> | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=MN:MANGANESE+(II)+ION'>MN</scene>, <scene name='pdbligand=XMM:(2R,3S,4S,5S,6R)-2-(5-BROMO-4-CHLORO-1H-INDOL-3-YLOXY)-TETRAHYDRO-6-(HYDROXYMETHYL)-2H-PYRAN-3,4,5-TRIOL'>XMM</scene></td></tr> | ||
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http:// | <tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://proteopedia.org/fgij/fg.htm?mol=5tg3 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5tg3 OCA], [http://pdbe.org/5tg3 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5tg3 RCSB], [http://www.ebi.ac.uk/pdbsum/5tg3 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5tg3 ProSAT]</span></td></tr> | ||
</table> | </table> | ||
<div style="background-color:#fffaf0;"> | <div style="background-color:#fffaf0;"> | ||
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</StructureSection> | </StructureSection> | ||
[[Category: Dioclea reflexa]] | [[Category: Dioclea reflexa]] | ||
[[Category: Large Structures]] | |||
[[Category: Araripe, D A]] | [[Category: Araripe, D A]] | ||
[[Category: Cavada, B S]] | [[Category: Cavada, B S]] | ||
Revision as of 15:09, 23 September 2020
Crystal Structure of Dioclea reflexa seed lectin (DrfL) in complex with X-ManCrystal Structure of Dioclea reflexa seed lectin (DrfL) in complex with X-Man
Structural highlights
Publication Abstract from PubMedThe three-dimensional structure of Dioclea reflexa seed lectin (DrfL) was studied in detail by a combination of X-ray crystallography, molecular docking and molecular dynamics. DrfL was purified by affinity chromatography using Sephadex G-50 matrix. Its primary structure was obtained by mass spectrometry, and crystals belonging to orthorhombic space group P212121 were grown by the vapor diffusion method at 293K. The crystal structure was solved at 1.765A and was very similar to that of other lectins from the same subtribe. The structure presented Rfactor and Rfree of 21.69% and 24.89%, respectively, with no residues in nonallowed regions of Ramachandran plot. Similar to other Diocleinae lectins, DrfL was capable of relaxing aortic rings via NO induction, with CRD participation, albeit with low intensity (32%). In silico analysis results demonstrated that DrfL could strongly interact with complex N-glycans, components of blood vessel glycoconjugates. Despite the high similarity among Diocleinae lectins, it was also reported that each lectin has unique CRD properties that influence carbohydrate binding, resulting in different biological effects presented by these molecules. Structural studies of a vasorelaxant lectin from Dioclea reflexa Hook seeds: Crystal structure, molecular docking and dynamics.,Pinto-Junior VR, Osterne VJ, Santiago MQ, Correia JL, Pereira-Junior FN, Leal RB, Pereira MG, Chicas LS, Nagano CS, Rocha BA, Silva-Filho JC, Ferreira WP, Rocha CR, Nascimento KS, Assreuy AM, Cavada BS Int J Biol Macromol. 2017 Jan 24;98:12-23. doi: 10.1016/j.ijbiomac.2017.01.092. PMID:28130130[1] From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. References
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