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| ==CRYSTAL STRUCTURE OF A HEXITOL NUCLEIC ACID (HNA) DUPLEX AT 1.6A RESOLUTION== | | ==CRYSTAL STRUCTURE OF A HEXITOL NUCLEIC ACID (HNA) DUPLEX AT 1.6A RESOLUTION== |
| <StructureSection load='481d' size='340' side='right' caption='[[481d]], [[Resolution|resolution]] 1.60Å' scene=''> | | <StructureSection load='481d' size='340' side='right'caption='[[481d]], [[Resolution|resolution]] 1.60Å' scene=''> |
| == Structural highlights == | | == Structural highlights == |
| <table><tr><td colspan='2'>[[481d]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=481D OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=481D FirstGlance]. <br> | | <table><tr><td colspan='2'>[[481d]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=481D OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=481D FirstGlance]. <br> |
| </td></tr><tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=6HA:1,5-ANHYDRO-2,3-DIDEOXY-2-(ADENIN-9-YL)-6-O-PHOSPHORYL-D-ARABINO-HEXITOL'>6HA</scene>, <scene name='pdbligand=6HC:1,5-ANHYDRO-2,3-DIDEOXY-2-(CYTOSIN-1-YL)-6-O-PHOSPHORYL-D-ARABINO-HEXITOL'>6HC</scene>, <scene name='pdbligand=6HG:1,5-ANHYDRO-2,3-DIDEOXY-2-(GUANIN-9-YL)-6-O-PHOSPHORYL-D-ARABINO-HEXITOL'>6HG</scene>, <scene name='pdbligand=6HT:1,5-ANHYDRO-2,3-DIDEOXY-2-(THYMIN-1-YL)-6-O-PHOSPHORYL-D-ARABINO-HEXITOL'>6HT</scene></td></tr> | | </td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.6Å</td></tr> |
| <tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=481d FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=481d OCA], [http://pdbe.org/481d PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=481d RCSB], [http://www.ebi.ac.uk/pdbsum/481d PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=481d ProSAT]</span></td></tr> | | <tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=6HA:1,5-ANHYDRO-2,3-DIDEOXY-2-(ADENIN-9-YL)-6-O-PHOSPHORYL-D-ARABINO-HEXITOL'>6HA</scene>, <scene name='pdbligand=6HC:1,5-ANHYDRO-2,3-DIDEOXY-2-(CYTOSIN-1-YL)-6-O-PHOSPHORYL-D-ARABINO-HEXITOL'>6HC</scene>, <scene name='pdbligand=6HG:1,5-ANHYDRO-2,3-DIDEOXY-2-(GUANIN-9-YL)-6-O-PHOSPHORYL-D-ARABINO-HEXITOL'>6HG</scene>, <scene name='pdbligand=6HT:1,5-ANHYDRO-2,3-DIDEOXY-2-(THYMIN-1-YL)-6-O-PHOSPHORYL-D-ARABINO-HEXITOL'>6HT</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=481d FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=481d OCA], [https://pdbe.org/481d PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=481d RCSB], [https://www.ebi.ac.uk/pdbsum/481d PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=481d ProSAT]</span></td></tr> |
| </table> | | </table> |
| <div style="background-color:#fffaf0;">
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| == Publication Abstract from PubMed ==
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| A huge variety of chemically modified oligonucleotide derivatives has been synthesized for possible antisense applications. One such derivative, hexitol nucleic acid (HNA), is a DNA analogue containing the standard nucleoside bases, but with a phosphorylated 1',5'-anhydrohexitol backbone. Hexitol nucleic acids are some of the strongest hybridizing antisense compounds presently known, but HNA duplexes are even more stable. We present here the first high-resolution structure of a double helical nucleic acid with all sugars being hexitols. Although designed to have a restricted conformational flexibility, the hexitol oligomer h(GTGTACAC) is able to crystallize in two different double helical conformations. Both structures display a high x-displacement, normal Watson-Crick base pairing, similar base stacking patterns, and a very deep major groove together with a minor groove with increased hydrophobicity. One of the conformations displays a major groove which is wide enough to accommodate a second HNA double helix resulting in the formation of a double helix of HNA double helices. Both structures show most similarities with the A-type helical structure, the anhydrohexitol chair conformation thereby acting as a good mimic for the furanose C3'-endo conformation observed in RNA. As compared to the quasi-linear structure of homo-DNA, the axial position of the base in HNA allows efficient base stacking and hence double helix formation.
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| Crystal structure of double helical hexitol nucleic acids.,Declercq R, Van Aerschot A, Read RJ, Herdewijn P, Van Meervelt L J Am Chem Soc. 2002 Feb 13;124(6):928-33. PMID:11829600<ref>PMID:11829600</ref>
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| From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
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| </div>
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| <div class="pdbe-citations 481d" style="background-color:#fffaf0;"></div>
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| == References ==
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| <references/>
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| __TOC__ | | __TOC__ |
| </StructureSection> | | </StructureSection> |
| [[Category: Declercq, R]] | | [[Category: Large Structures]] |
| [[Category: Meervelt, L Van]] | | [[Category: Declercq R]] |
| [[Category: Dna]] | | [[Category: Van Meervelt L]] |
| [[Category: Dna analogue]]
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| [[Category: Double helix]]
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| [[Category: Hexitol nucleic acid]]
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