1qdd
From Proteopedia
(New page: 200px<br /><applet load="1qdd" size="450" color="white" frame="true" align="right" spinBox="true" caption="1qdd, resolution 1.30Å" /> '''CRYSTAL STRUCTURE OF...) |
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| - | [[Image:1qdd.gif|left|200px]]<br /><applet load="1qdd" size=" | + | [[Image:1qdd.gif|left|200px]]<br /><applet load="1qdd" size="350" color="white" frame="true" align="right" spinBox="true" |
caption="1qdd, resolution 1.30Å" /> | caption="1qdd, resolution 1.30Å" /> | ||
'''CRYSTAL STRUCTURE OF HUMAN LITHOSTATHINE TO 1.3 A RESOLUTION'''<br /> | '''CRYSTAL STRUCTURE OF HUMAN LITHOSTATHINE TO 1.3 A RESOLUTION'''<br /> | ||
==Overview== | ==Overview== | ||
| - | Pancreatic juice is supersaturated with calcium carbonate. Calcite | + | 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. |
==About this Structure== | ==About this Structure== | ||
| - | 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:// | + | 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 <scene name='pdbligand=SIA:'>SIA</scene> as [http://en.wikipedia.org/wiki/ligand ligand]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1QDD OCA]. |
==Reference== | ==Reference== | ||
| Line 14: | Line 14: | ||
[[Category: Single protein]] | [[Category: Single protein]] | ||
[[Category: Berland, Y.]] | [[Category: Berland, Y.]] | ||
| - | [[Category: Bertrand, J | + | [[Category: Bertrand, J A.]] |
| - | [[Category: Canselier, J | + | [[Category: Canselier, J P.]] |
| - | [[Category: Fontecilla-Camps, J | + | [[Category: Fontecilla-Camps, J C.]] |
[[Category: Gabas, N.]] | [[Category: Gabas, N.]] | ||
[[Category: Gerbaud, V.]] | [[Category: Gerbaud, V.]] | ||
[[Category: Loret, E.]] | [[Category: Loret, E.]] | ||
[[Category: Pignol, D.]] | [[Category: Pignol, D.]] | ||
| - | [[Category: Verdier, J | + | [[Category: Verdier, J M.]] |
[[Category: SIA]] | [[Category: SIA]] | ||
[[Category: lithostathine]] | [[Category: lithostathine]] | ||
[[Category: pancreatic stone inhibitor]] | [[Category: pancreatic stone inhibitor]] | ||
| - | ''Page seeded by [http:// | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 14:38:30 2008'' |
Revision as of 12:38, 21 February 2008
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CRYSTAL STRUCTURE OF HUMAN LITHOSTATHINE TO 1.3 A RESOLUTION
Overview
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.
About this Structure
1QDD is a Single protein structure of sequence from Homo sapiens with as ligand. Full crystallographic information is available from OCA.
Reference
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:10625646
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