1rru

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[[Image:1rru.gif|left|200px]]
 
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==The influence of a chiral amino acid on the helical handedness of PNA in solution and in crystals==
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The line below this paragraph, containing "STRUCTURE_1rru", creates the "Structure Box" on the page.
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<StructureSection load='1rru' size='340' side='right'caption='[[1rru]], [[Resolution|resolution]] 2.35&Aring;' scene=''>
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You may change the PDB parameter (which sets the PDB file loaded into the applet)
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== Structural highlights ==
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or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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<table><tr><td colspan='2'>[[1rru]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1RRU OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1RRU 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]] 2.35&#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=APN:2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-ADENINE'>APN</scene>, <scene name='pdbligand=CPN:2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-CYTOSINE'>CPN</scene>, <scene name='pdbligand=GPN:2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-GUANINE'>GPN</scene>, <scene name='pdbligand=NH2:AMINO+GROUP'>NH2</scene>, <scene name='pdbligand=TPN:2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-THYMINE'>TPN</scene></td></tr>
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{{STRUCTURE_1rru| PDB=1rru | SCENE= }}
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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=1rru FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1rru OCA], [https://pdbe.org/1rru PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1rru RCSB], [https://www.ebi.ac.uk/pdbsum/1rru PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1rru ProSAT]</span></td></tr>
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</table>
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'''The influence of a chiral amino acid on the helical handedness of PNA in solution and in crystals'''
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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==Overview==
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The X-ray structure of a self-complementary PNA hexamer (H-CGTACG-L-Lys-NH(2)) has been determined to 2.35 A resolution. The introduction of an L-lysine moiety has previously been shown to induce a preferred left-handedness of the PNA double helices in aqueous solution. However, in the crystal structure an equal amount of interchanging right- and left-handed helices is observed. The lysine moieties are pointing into large solvent channels and no significant interactions between this moiety and the remaining PNA molecule are observed. In contrast, molecular mechanics calculations show a preference for the left-handed helix of this hexameric PNA in aqueous solution as expected. The calculations indicate that the difference in the free energy of solvation between the left-handed and the right-handed helix is the determining factor for the preference of the left-handed helix in aqueous solution.
The X-ray structure of a self-complementary PNA hexamer (H-CGTACG-L-Lys-NH(2)) has been determined to 2.35 A resolution. The introduction of an L-lysine moiety has previously been shown to induce a preferred left-handedness of the PNA double helices in aqueous solution. However, in the crystal structure an equal amount of interchanging right- and left-handed helices is observed. The lysine moieties are pointing into large solvent channels and no significant interactions between this moiety and the remaining PNA molecule are observed. In contrast, molecular mechanics calculations show a preference for the left-handed helix of this hexameric PNA in aqueous solution as expected. The calculations indicate that the difference in the free energy of solvation between the left-handed and the right-handed helix is the determining factor for the preference of the left-handed helix in aqueous solution.
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==About this Structure==
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The influence of a chiral amino acid on the helical handedness of PNA in solution and in crystals.,Rasmussen H, Liljefors T, Petersson B, Nielsen PE, Liljefors T, Kastrup JS J Biomol Struct Dyn. 2004 Feb;21(4):495-502. PMID:14692794<ref>PMID:14692794</ref>
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Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1RRU 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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The influence of a chiral amino acid on the helical handedness of PNA in solution and in crystals., Rasmussen H, Liljefors T, Petersson B, Nielsen PE, Liljefors T, Kastrup JS, J Biomol Struct Dyn. 2004 Feb;21(4):495-502. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/14692794 14692794]
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</div>
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[[Category: Kastrup, J S.]]
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<div class="pdbe-citations 1rru" style="background-color:#fffaf0;"></div>
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[[Category: Liljefors, T.]]
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== References ==
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[[Category: Nielsen, P E.]]
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<references/>
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[[Category: Petersson, B.]]
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__TOC__
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[[Category: Rasmussen, H.]]
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</StructureSection>
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[[Category: Helical handedness]]
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[[Category: Large Structures]]
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[[Category: L-lysine]]
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[[Category: Kastrup JS]]
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[[Category: Molecular mechanic]]
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[[Category: Liljefors T]]
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[[Category: P-form]]
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[[Category: Nielsen PE]]
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[[Category: Peptide nucleic acid]]
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[[Category: Petersson B]]
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[[Category: Pna]]
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[[Category: Rasmussen H]]
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[[Category: X-ray crystallography]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sat May 3 07:50:16 2008''
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The influence of a chiral amino acid on the helical handedness of PNA in solution and in crystals

PDB ID 1rru

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