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| [[Image:1fn1.gif|left|200px]]<br /><applet load="1fn1" size="450" color="white" frame="true" align="right" spinBox="true"
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| caption="1fn1, resolution 1.60Å" />
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| '''CRYSTAL STRUCTURE OF 9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE-4-CARBOXAMIDE BOUND TO D(CG(5BR)UACG)2'''<br />
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| ==Overview== | | ==CRYSTAL STRUCTURE OF 9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE-4-CARBOXAMIDE BOUND TO D(CG(5BR)UACG)2== |
| The structures of the complexes formed between, 9-amino-[N:-(2-dimethyl-amino)butyl]acridine-4-carboxamide and, d(CG(5Br)UACG)(2) and d(CGTACG)(2) have been solved by X-ray, crystallography using MAD phasing methodology and refined to a resolution, of 1.6 A. The complexes crystallised in space group C222. An asymmetric, unit in the brominated complex comprises two strands of DNA, one, disordered drug molecule, two cobalt (II) ions and 19 water molecules (31, in the native complex). Asymmetric units in the native complex also, contain a sodium ion. The structures exhibit novel features not previously, observed in crystals of DNA/drug complexes. The DNA helices stack in, continuous columns with their central 4 bp adopting a B-like motif., However, despite being a palindromic sequence, the terminal GC base pairs, engage in quite different interactions. At one end of the duplex there is, a CpG dinucleotide overlap modified by ligand intercalation and terminal, cytosine exchange between symmetry-related duplexes. A novel intercalation, complex is formed involving four DNA duplexes, four ligand molecules and, two pairs of base tetrads. The other end of the DNA is frayed with the, terminal guanine lying in the minor groove of the next duplex in the, column. The structure is stabilised by guanine N7/cobalt (II), coordination. We discuss our findings with respect to the effects of, packing forces on DNA crystal structure, and the potential effects of, intercalating agents on biochemical processes involving DNA quadruplexes, and strand exchanges. NDB accession numbers: DD0032 (brominated) and, DD0033 (native).
| | <StructureSection load='1fn1' size='340' side='right'caption='[[1fn1]], [[Resolution|resolution]] 1.60Å' scene=''> |
| | | == Structural highlights == |
| ==About this Structure== | | <table><tr><td colspan='2'>[[1fn1]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1FN1 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1FN1 FirstGlance]. <br> |
| 1FN1 is a [http://en.wikipedia.org/wiki/Protein_complex Protein complex] structure of sequences from [http://en.wikipedia.org/wiki/ ] with BR, CO and 8AD as [http://en.wikipedia.org/wiki/ligands ligands]. Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=1FN1 OCA].
| | </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='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=8AD:9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE-4-CARBOXAMIDE'>8AD</scene>, <scene name='pdbligand=BRU:5-BROMO-2-DEOXYURIDINE-5-MONOPHOSPHATE'>BRU</scene>, <scene name='pdbligand=CO:COBALT+(II)+ION'>CO</scene></td></tr> |
| ==Reference== | | <tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=1fn1 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1fn1 OCA], [https://pdbe.org/1fn1 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1fn1 RCSB], [https://www.ebi.ac.uk/pdbsum/1fn1 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1fn1 ProSAT]</span></td></tr> |
| A novel form of intercalation involving four DNA duplexes in an acridine-4-carboxamide complex of d(CGTACG)(2)., Adams A, Guss JM, Collyer CA, Denny WA, Wakelin LP, Nucleic Acids Res. 2000 Nov 1;28(21):4244-53. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=11058124 11058124]
| | </table> |
| [[Category: Protein complex]] | | __TOC__ |
| [[Category: Adams, A.]] | | </StructureSection> |
| [[Category: Collyer, C.A.]]
| | [[Category: Large Structures]] |
| [[Category: Denny, W.A.]]
| | [[Category: Adams A]] |
| [[Category: Guss, J.M.]]
| | [[Category: Collyer CA]] |
| [[Category: Wakelin, L.P.G.]]
| | [[Category: Denny WA]] |
| [[Category: 8AD]]
| | [[Category: Guss JM]] |
| [[Category: BR]]
| | [[Category: Wakelin LPG]] |
| [[Category: CO]] | |
| [[Category: 9-aminoacridine-4-carboamide]] | |
| [[Category: hexanucleotide]] | |
| [[Category: intercalation]] | |
| [[Category: quadruplex]] | |
| [[Category: x-ray crystallography]] | |
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| ''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Sun Nov 25 00:05:16 2007''
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