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1qdd

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(New page: 200px<br /><applet load="1qdd" size="450" color="white" frame="true" align="right" spinBox="true" caption="1qdd, resolution 1.30&Aring;" /> '''CRYSTAL STRUCTURE OF...)
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[[Image:1qdd.gif|left|200px]]<br /><applet load="1qdd" size="450" color="white" frame="true" align="right" spinBox="true"
 
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caption="1qdd, resolution 1.30&Aring;" />
 
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'''CRYSTAL STRUCTURE OF HUMAN LITHOSTATHINE TO 1.3 A RESOLUTION'''<br />
 
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==Overview==
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==CRYSTAL STRUCTURE OF HUMAN LITHOSTATHINE TO 1.3 A RESOLUTION==
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Pancreatic juice is supersaturated with calcium carbonate. Calcite, crystals therefore may occur, obstruct pancreatic ducts, and finally cause, a lithiasis. Human lithostathine, a protein synthesized by the pancreas, inhibits the growth of calcite crystals by inducing a habit modification:, the rhombohedral (10 14) usual habit is transformed into a needle-like, habit through the (11 0) crystal form. A similar observation was made with, the N-terminal undecapeptide (pE(1)R(11)) of lithostathine. We therefore, aimed at discovering how peptides inhibit calcium salt crystal growth. We, solved the complete x-ray structure of lithostathine, including the, flexible N-terminal domain, at 1.3 A. Docking studies of pE(1)R(11) with, the (10 14) and (11 0) faces through molecular dynamics simulation, resulted in three successive steps. First, the undecapeptide progressively, unfolded as it approached the calcite surface. Second, mobile lateral, chains of amino acids made hydrogen bonds with the calcite surface. Last, electrostatic bonds between calcium ions and peptide bonds stabilized and, anchored pE(1)R(11) on the crystal surface. pE(1)R(11)-calcite interaction, was stronger with the (11 0) face than with the (10 14) face, confirming, earlier experimental observations. Energy contributions showed that the, peptide backbone governed the binding more than did the lateral chains., The ability of peptides to inhibit crystal growth is therefore essentially, based on backbone flexibility.
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<StructureSection load='1qdd' size='340' side='right'caption='[[1qdd]], [[Resolution|resolution]] 1.30&Aring;' scene=''>
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== Structural highlights ==
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==About this Structure==
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<table><tr><td colspan='2'>[[1qdd]] 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=1QDD OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1QDD FirstGlance]. <br>
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1QDD is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens] with SIA as [http://en.wikipedia.org/wiki/ligand ligand]. Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=1QDD OCA].
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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]] 1.3&#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=GAL:BETA-D-GALACTOSE'>GAL</scene>, <scene name='pdbligand=NDG:2-(ACETYLAMINO)-2-DEOXY-A-D-GLUCOPYRANOSE'>NDG</scene>, <scene name='pdbligand=SIA:O-SIALIC+ACID'>SIA</scene></td></tr>
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==Reference==
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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=1qdd FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1qdd OCA], [https://pdbe.org/1qdd PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1qdd RCSB], [https://www.ebi.ac.uk/pdbsum/1qdd PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1qdd ProSAT]</span></td></tr>
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Mechanism of calcite crystal growth inhibition by the N-terminal undecapeptide of lithostathine., Gerbaud V, Pignol D, Loret E, Bertrand JA, Berland Y, Fontecilla-Camps JC, Canselier JP, Gabas N, Verdier JM, J Biol Chem. 2000 Jan 14;275(2):1057-64. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=10625646 10625646]
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/REG1A_HUMAN REG1A_HUMAN] Might act as an inhibitor of spontaneous calcium carbonate precipitation. May be associated with neuronal sprouting in brain, and with brain and pancreas regeneration.
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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/qd/1qdd_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=1qdd ConSurf].
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<div style="clear:both"></div>
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__TOC__
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</StructureSection>
[[Category: Homo sapiens]]
[[Category: Homo sapiens]]
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[[Category: Single protein]]
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[[Category: Large Structures]]
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[[Category: Berland, Y.]]
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[[Category: Berland Y]]
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[[Category: Bertrand, J.A.]]
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[[Category: Bertrand JA]]
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[[Category: Canselier, J.P.]]
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[[Category: Canselier JP]]
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[[Category: Fontecilla-Camps, J.C.]]
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[[Category: Fontecilla-Camps JC]]
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[[Category: Gabas, N.]]
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[[Category: Gabas N]]
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[[Category: Gerbaud, V.]]
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[[Category: Gerbaud V]]
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[[Category: Loret, E.]]
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[[Category: Loret E]]
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[[Category: Pignol, D.]]
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[[Category: Pignol D]]
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[[Category: Verdier, J.M.]]
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[[Category: Verdier JM]]
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[[Category: SIA]]
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[[Category: lithostathine]]
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[[Category: pancreatic stone inhibitor]]
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''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Wed Nov 21 00:35:49 2007''
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Current revision

CRYSTAL STRUCTURE OF HUMAN LITHOSTATHINE TO 1.3 A RESOLUTION

PDB ID 1qdd

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