1jw6

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(New page: 200px<br /><applet load="1jw6" size="450" color="white" frame="true" align="right" spinBox="true" caption="1jw6, resolution 1.93&Aring;" /> '''Crystal Structure of...)
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[[Image:1jw6.gif|left|200px]]<br /><applet load="1jw6" size="450" color="white" frame="true" align="right" spinBox="true"
 
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caption="1jw6, resolution 1.93&Aring;" />
 
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'''Crystal Structure of the Complex of Concanavalin A and Hexapeptide'''<br />
 
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==Overview==
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==Crystal Structure of the Complex of Concanavalin A and Hexapeptide==
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The X-ray structure analysis of a cross-linked crystal of concanavalin A, soaked with a hexapeptide molecule as a probe molecule showed an electron, density corresponding to full occupation in the binding pocket. The site, lies on the surface of concanavalin A and is surrounded by three, symmetry-related molecules. The crystal structure of the hexapeptide, complex was refined at 1.93-A resolution, to an R-factor of 19% (Rfree, factor of 25%), with an RMS deviation in bond distances of 0.01 A. The, model includes all 237 residues of concanavalin A, one manganese ion, one, calcium ion, 95 water molecules, one glutaraldehyde molecule, one, isopropanol molecule, and one hexapeptide molecule. This X-ray structure, analysis also provides an approach to mapping the binding surface of, crystalline protein with a probe molecule that is dissolved in the mixture, of organic solvent with water or in neat organic solvent but is hardly, dissolved in aqueous solution.
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<StructureSection load='1jw6' size='340' side='right'caption='[[1jw6]], [[Resolution|resolution]] 1.93&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[1jw6]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Canavalia_ensiformis Canavalia ensiformis] and [https://en.wikipedia.org/wiki/Synthetic_construct Synthetic construct]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1JW6 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1JW6 FirstGlance]. <br>
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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]] 1.93&#8491;</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=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=IPA:ISOPROPYL+ALCOHOL'>IPA</scene>, <scene name='pdbligand=MN:MANGANESE+(II)+ION'>MN</scene>, <scene name='pdbligand=PTD:PENTANEDIAL'>PTD</scene></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=1jw6 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1jw6 OCA], [https://pdbe.org/1jw6 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1jw6 RCSB], [https://www.ebi.ac.uk/pdbsum/1jw6 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1jw6 ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/CONA_CANEN CONA_CANEN] D-mannose specific lectin.
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== Evolutionary Conservation ==
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[[Image:Consurf_key_small.gif|200px|right]]
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Check<jmol>
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<jmolCheckbox>
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<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/jw/1jw6_consurf.spt"</scriptWhenChecked>
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<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
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<text>to colour the structure by Evolutionary Conservation</text>
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</jmolCheckbox>
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</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=1jw6 ConSurf].
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<div style="clear:both"></div>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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The X-ray structure analysis of a cross-linked crystal of concanavalin A soaked with a hexapeptide molecule as a probe molecule showed an electron density corresponding to full occupation in the binding pocket. The site lies on the surface of concanavalin A and is surrounded by three symmetry-related molecules. The crystal structure of the hexapeptide complex was refined at 1.93-A resolution, to an R-factor of 19% (Rfree factor of 25%), with an RMS deviation in bond distances of 0.01 A. The model includes all 237 residues of concanavalin A, one manganese ion, one calcium ion, 95 water molecules, one glutaraldehyde molecule, one isopropanol molecule, and one hexapeptide molecule. This X-ray structure analysis also provides an approach to mapping the binding surface of crystalline protein with a probe molecule that is dissolved in the mixture of organic solvent with water or in neat organic solvent but is hardly dissolved in aqueous solution.
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==About this Structure==
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Crystal structure of the complex of concanavalin A and hexapeptide.,Zhang Z, Qian M, Huang Q, Jia Y, Tang Y, Wang K, Cui D, Li M J Protein Chem. 2001 Jul;20(5):423-9. PMID:11732694<ref>PMID:11732694</ref>
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1JW6 is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Canavalia_ensiformis Canavalia ensiformis] with MN, CA, PTD and IPA as [http://en.wikipedia.org/wiki/ligands ligands]. Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=1JW6 OCA].
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==Reference==
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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Crystal structure of the complex of concanavalin A and hexapeptide., Zhang Z, Qian M, Huang Q, Jia Y, Tang Y, Wang K, Cui D, Li M, J Protein Chem. 2001 Jul;20(5):423-9. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=11732694 11732694]
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</div>
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[[Category: Canavalia ensiformis]]
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<div class="pdbe-citations 1jw6" style="background-color:#fffaf0;"></div>
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[[Category: Single protein]]
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[[Category: Huang, Q.]]
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[[Category: Jia, Y.]]
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[[Category: Qian, M.]]
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[[Category: Tang, Y.]]
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[[Category: Zhang, Z.]]
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[[Category: CA]]
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[[Category: IPA]]
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[[Category: MN]]
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[[Category: PTD]]
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[[Category: complex with hexapeptide]]
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''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Tue Nov 20 18:37:50 2007''
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==See Also==
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*[[Concanavalin 3D structures|Concanavalin 3D structures]]
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== References ==
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<references/>
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__TOC__
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</StructureSection>
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[[Category: Canavalia ensiformis]]
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[[Category: Large Structures]]
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[[Category: Synthetic construct]]
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[[Category: Huang Q]]
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[[Category: Jia Y]]
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[[Category: Qian M]]
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[[Category: Tang Y]]
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[[Category: Zhang Z]]

Current revision

Crystal Structure of the Complex of Concanavalin A and Hexapeptide

PDB ID 1jw6

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