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[[Image:1qny.gif|left|200px]]<br />
<applet load="1qny" size="450" color="white" frame="true" align="right" spinBox="true"
caption="1qny, resolution 1.8&Aring;" />
'''X-RAY REFINEMENT OF D2O SOAKED CRYSTAL OF CONCANAVALIN A'''<br />


==Overview==
==X-ray refinement of D2O soaked crystal of concanavalin A==
The correct positions of the deuterium (D) atoms of many of the bound, waters in the protein concanavalin A are revealed by neutron Laue, diffraction. The approach includes cases where these water D atoms show, enough mobility to render them invisible even to ultra-high resolution, synchrotron-radiation X-ray crystallography. The positions of the bound, water H atoms calculated on the basis of chemical and energetic, considerations are often incorrect. The D-atom positions for the water, molecules in the Mn-, Ca- and sugar-binding sites of concanavalin A are, described in detail.
<StructureSection load='1qny' size='340' side='right'caption='[[1qny]], [[Resolution|resolution]] 1.80&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[1qny]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Canavalia_ensiformis Canavalia ensiformis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1QNY OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1QNY FirstGlance]. <br>
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.8&#8491;</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></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=1qny FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1qny OCA], [https://pdbe.org/1qny PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1qny RCSB], [https://www.ebi.ac.uk/pdbsum/1qny PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1qny ProSAT]</span></td></tr>
</table>
== Function ==
[https://www.uniprot.org/uniprot/CONA_CANEN CONA_CANEN] D-mannose specific lectin.
== Evolutionary Conservation ==
[[Image:Consurf_key_small.gif|200px|right]]
Check<jmol>
  <jmolCheckbox>
    <scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/qn/1qny_consurf.spt"</scriptWhenChecked>
    <scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
    <text>to colour the structure by Evolutionary Conservation</text>
  </jmolCheckbox>
</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=1qny ConSurf].
<div style="clear:both"></div>
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
The correct positions of the deuterium (D) atoms of many of the bound waters in the protein concanavalin A are revealed by neutron Laue diffraction. The approach includes cases where these water D atoms show enough mobility to render them invisible even to ultra-high resolution synchrotron-radiation X-ray crystallography. The positions of the bound water H atoms calculated on the basis of chemical and energetic considerations are often incorrect. The D-atom positions for the water molecules in the Mn-, Ca- and sugar-binding sites of concanavalin A are described in detail.


==About this Structure==
Direct determination of the positions of the deuterium atoms of the bound water in -concanavalin A by neutron Laue crystallography.,Habash J, Raftery J, Nuttall R, Price HJ, Wilkinson C, Kalb AJ, Helliwell JR Acta Crystallogr D Biol Crystallogr. 2000 May;56(Pt 5):541-50. PMID:10771422<ref>PMID:10771422</ref>
1QNY 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 and CA as [[http://en.wikipedia.org/wiki/ligands ligands]]. Structure known Active Sites: CA and MN. Full crystallographic information is available from [[http://ispc.weizmann.ac.il/oca-bin/ocashort?id=1QNY OCA]].


==Reference==
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
Direct determination of the positions of the deuterium atoms of the bound water in -concanavalin A by neutron Laue crystallography., Habash J, Raftery J, Nuttall R, Price HJ, Wilkinson C, Kalb AJ, Helliwell JR, Acta Crystallogr D Biol Crystallogr. 2000 May;56(Pt 5):541-50. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=10771422 10771422]
</div>
<div class="pdbe-citations 1qny" style="background-color:#fffaf0;"></div>
 
==See Also==
*[[Concanavalin 3D structures|Concanavalin 3D structures]]
== References ==
<references/>
__TOC__
</StructureSection>
[[Category: Canavalia ensiformis]]
[[Category: Canavalia ensiformis]]
[[Category: Single protein]]
[[Category: Large Structures]]
[[Category: Gilboa, A.J.Kalb.]]
[[Category: Habash J]]
[[Category: Habash, J.]]
[[Category: Helliwell JR]]
[[Category: Helliwell, J.R.]]
[[Category: Lehmann MS]]
[[Category: Lehmann, M.S.]]
[[Category: Nuttall R]]
[[Category: Nuttall, R.]]
[[Category: Price HJ]]
[[Category: Price, H.J.]]
[[Category: Raftery J]]
[[Category: Raftery, J.]]
[[Category: Wilkinson C]]
[[Category: Wilkinson, C.]]
[[Category: CA]]
[[Category: MN]]
[[Category: concanavalin a]]
[[Category: d2o soaked]]
[[Category: sacchsaride free]]
 
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Retrieved from "https://proteopedia.org/1qny"