1fd5

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==BINDING OF A MACROCYCLIC BISACRIDINE AND AMETANTRONE TO CGTACG INVOLVES SIMILAR UNUSUAL INTERCALATION PLATFORMS (BISACRIDINE COMPLEX)==
==BINDING OF A MACROCYCLIC BISACRIDINE AND AMETANTRONE TO CGTACG INVOLVES SIMILAR UNUSUAL INTERCALATION PLATFORMS (BISACRIDINE COMPLEX)==
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<StructureSection load='1fd5' size='340' side='right' caption='[[1fd5]], [[Resolution|resolution]] 1.10&Aring;' scene=''>
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<StructureSection load='1fd5' size='340' side='right'caption='[[1fd5]], [[Resolution|resolution]] 1.10&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[1fd5]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1FD5 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1FD5 FirstGlance]. <br>
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<table><tr><td colspan='2'>[[1fd5]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1FD5 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1FD5 FirstGlance]. <br>
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</td></tr><tr><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=B9A:MACROCYCLIC-BIS-9-AMINO-ACRIDINE'>B9A</scene>, <scene name='pdbligand=CO:COBALT+(II)+ION'>CO</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene><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]] 1.1&#8491;</td></tr>
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<tr><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1fd5 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1fd5 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=1fd5 RCSB], [http://www.ebi.ac.uk/pdbsum/1fd5 PDBsum]</span></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=B9A:MACROCYCLIC-BIS-9-AMINO-ACRIDINE'>B9A</scene>, <scene name='pdbligand=CO:COBALT+(II)+ION'>CO</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene></td></tr>
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<table>
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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=1fd5 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1fd5 OCA], [https://pdbe.org/1fd5 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1fd5 RCSB], [https://www.ebi.ac.uk/pdbsum/1fd5 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1fd5 ProSAT]</span></td></tr>
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<div style="background-color:#fffaf0;">
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</table>
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== Publication Abstract from PubMed ==
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The binding of a macrocyclic bisacridine and an antitumor intercalator ametantrone to DNA has been studied. We carried out X-ray diffraction analyses of the complexes between both intercalators and CGTACG. We have determined the crystal structure, by the multiple-wavelength anomalous diffraction (MAD) method, of bisacridine complexed with CGTA[br(5)C]G at 1.8 A resolution. The refined native crystal structure at 1.1 A resolution (space group C222, a = 29.58 A, b = 54.04 A, c = 40.22 A, and R-factor = 0.163) revealed that only one acridine of the bisacridine drug binds at the C5pG6 step of the DNA, with the other acridine plus both linkers completely disordered. Surprisingly, both terminal G.C base pairs are unraveled. The C1 nucleotide is disordered, and the G2 base is bridged to its own phosphate P2 through a hydrated Co(2+) ion. G12 is swung toward the minor groove with its base stacked over the backbone. The C7 nucleotide is flipped away from the duplex part and base paired to a 2-fold symmetry-related G6. The central four base pairs adopt the B-DNA conformation. An unusual intercalator platform is formed by bringing four complexes together (involving the 222 symmetry) such that the intercalator cavity is flanked by two sets of G x C base pairs (i.e., C5 x G8 and G6 x C7) on each side, joined together by G6 x G8 tertiary base pairing interactions. In the bisacridine-CGTACG complex, the intercalation platform is intercalated with two acridines, whereas in the ametantrone-CGTACG complex, only one ametantrone is bound. NMR titration of the bisacridine to AACGATCGTT suggests that the bisacridine prefers to bridge more than one DNA duplex by intercalating each acridine to different duplexes. The results may be relevant in understanding binding of certain intercalators to DNA structure associated with the quadruplet helix and Holliday junction.
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Binding of a macrocyclic bisacridine and ametantrone to CGTACG involves similar unusual intercalation platforms.,Yang XL, Robinson H, Gao YG, Wang AH Biochemistry. 2000 Sep 12;39(36):10950-7. PMID:10998231<ref>PMID:10998231</ref>
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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</div>
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== References ==
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<references/>
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__TOC__
__TOC__
</StructureSection>
</StructureSection>
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[[Category: Gao, Y G.]]
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[[Category: Large Structures]]
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[[Category: Robinson, H.]]
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[[Category: Gao Y-G]]
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[[Category: Wang, A H.J.]]
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[[Category: Robinson H]]
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[[Category: Yang, X L.]]
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[[Category: Wang AH-J]]
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[[Category: Anticancer drug]]
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[[Category: Yang X-L]]
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[[Category: Dna]]
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[[Category: Drug-dna complex]]
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[[Category: High resolution crystal structure]]
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[[Category: Intercalation platform]]
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[[Category: Mad]]
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[[Category: Metal ion]]
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[[Category: Tertiary base pair]]
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Current revision

BINDING OF A MACROCYCLIC BISACRIDINE AND AMETANTRONE TO CGTACG INVOLVES SIMILAR UNUSUAL INTERCALATION PLATFORMS (BISACRIDINE COMPLEX)

PDB ID 1fd5

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