1xcs: Difference between revisions
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==structure of oligonucleotide/drug complex== | |||
===structure | <StructureSection load='1xcs' size='340' side='right' caption='[[1xcs]], [[Resolution|resolution]] 1.40Å' scene=''> | ||
{{ | == Structural highlights == | ||
<table><tr><td colspan='2'>[[1xcs]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1XCS OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1XCS FirstGlance]. <br> | |||
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=A4L:9-[(5-(ACETYLAMINO)-6-{[(1S,4R)-8-AMINO-4-[((2R)-6-AMINO-2-{2-[(1S)-5-AMINO-1-FORMYLPENTYL]HYDRAZINO}HEXANOYL)AMINO]-1-(4-AMINOBUTYL)-2,3-DIOXOOCTYL]AMINO}-6-OXOHEXYL)AMINO]-6-CHLORO-2-METHOXYACRIDINIUM'>A4L</scene>, <scene name='pdbligand=BA:BARIUM+ION'>BA</scene>, <scene name='pdbligand=CO:COBALT+(II)+ION'>CO</scene></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=1xcs FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1xcs OCA], [http://www.rcsb.org/pdb/explore.do?structureId=1xcs RCSB], [http://www.ebi.ac.uk/pdbsum/1xcs PDBsum]</span></td></tr> | |||
</table> | |||
<div style="background-color:#fffaf0;"> | |||
== Publication Abstract from PubMed == | |||
The crystal structures of the hexamer duplex d(CGTACG)(2) complexed with the intercalating anthraquinone derivative 1,5-bis[3-(diethylamino)propionamido]anthracene-9,10-dione and the acridine derivative 9-acridinyl tetralysine have been solved at 2.0- and 1.4-A resolution, respectively. In both cases, the drugs adopt multiple orientations within a large DNA cavity constituted by two groups of four approximately coplanar bases. Cations play a pivotal role in the crystal structure. Both complexes crystallise in the presence of Co(2+), Ba(2+) and Na(+) ions. They reveal at least two different types of coordination environments: (1) specific sites for Co(2+) interacting with N7 of guanine; (2) a central ionic site formed by four phosphate groups, which can be occupied by different ions. One more ionic site that is not always occupied by ions is also visible in the electron density map. All of them play a role in the crystal structure. | |||
Variable role of ions in two drug intercalation complexes of DNA.,Valls N, Steiner RA, Wright G, Murshudov GN, Subirana JA J Biol Inorg Chem. 2005 Aug;10(5):476-82. Epub 2005 Sep 23. PMID:15926069<ref>PMID:15926069</ref> | |||
== | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | ||
</div> | |||
[[Category: Murshudov, G N | == References == | ||
[[Category: Steiner, R A | <references/> | ||
[[Category: Subirana, J A | __TOC__ | ||
[[Category: Valls, N | </StructureSection> | ||
[[Category: Wright, G | [[Category: Murshudov, G N]] | ||
[[Category: Steiner, R A]] | |||
[[Category: Subirana, J A]] | |||
[[Category: Valls, N]] | |||
[[Category: Wright, G]] | |||
[[Category: Co2+]] | [[Category: Co2+]] | ||
[[Category: Dna]] | [[Category: Dna]] | ||
[[Category: Double helix]] | [[Category: Double helix]] | ||
[[Category: Drug-dna complex]] | [[Category: Drug-dna complex]] | ||
Revision as of 07:55, 22 December 2014
structure of oligonucleotide/drug complexstructure of oligonucleotide/drug complex
Structural highlights
Publication Abstract from PubMedThe crystal structures of the hexamer duplex d(CGTACG)(2) complexed with the intercalating anthraquinone derivative 1,5-bis[3-(diethylamino)propionamido]anthracene-9,10-dione and the acridine derivative 9-acridinyl tetralysine have been solved at 2.0- and 1.4-A resolution, respectively. In both cases, the drugs adopt multiple orientations within a large DNA cavity constituted by two groups of four approximately coplanar bases. Cations play a pivotal role in the crystal structure. Both complexes crystallise in the presence of Co(2+), Ba(2+) and Na(+) ions. They reveal at least two different types of coordination environments: (1) specific sites for Co(2+) interacting with N7 of guanine; (2) a central ionic site formed by four phosphate groups, which can be occupied by different ions. One more ionic site that is not always occupied by ions is also visible in the electron density map. All of them play a role in the crystal structure. Variable role of ions in two drug intercalation complexes of DNA.,Valls N, Steiner RA, Wright G, Murshudov GN, Subirana JA J Biol Inorg Chem. 2005 Aug;10(5):476-82. Epub 2005 Sep 23. PMID:15926069[1] From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. References
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