title: Structures of two minor-groove-binding quinolinium quaternary salts complexed with d(CGCGAATTCGCG)(2) at 1.6 and 1.8 Angstrom resolution.
abstract: The structures of the complexes formed between two anticancer minor-groove-binding quinolinium quaternary salts and the dodecamer d(CGCGAATTCGCG)(2) have been refined to resolutions of 1.6 and 1.8 Angstrom. The complexes crystallized in space group P2(1)2(1)2(1) and the structures are isomorphous with previously solved dodecamer structures. The ligands both bind in the central AT region of the minor groove and although the crystallization conditions and structures of the ligands are very similar, they bind in opposing orientations. The structures are compared with two previously published structures of quinolinium quaternary salts, refined at 2.5 Angstrom resolution, complexed with d(CGCGAATTCGCG)(2) and an e(6)G-modified DNA.
authors.affiliation: School of Molecular and Microbial Biosciences, University of Sydney, NSW 2006, Australia. a.adams@mmb.usyd.edu.au
authors.forename: Adrienne
authors.initials: A
authors.lastname: Adams
authors.forename: Caroline
authors.initials: C
authors.lastname: Leong
authors.forename: William A
authors.initials: WA
authors.lastname: Denny
authors.forename: J Mitchell
authors.initials: JM
authors.lastname: Guss
mesh_terms: D000970:Antineoplastic Agents / Q000494:pharmacology; D018360:Crystallography, X-Ray; D004247:DNA / Q000737:chemistry*; D006860:Hydrogen Bonding; D006863:Hydrogen-Ion Concentration; D008024:Ligands; D046911:Macromolecular Substances / Q000737:chemistry; D008956:Models, Chemical; D008958:Models, Molecular; D015233:Models, Statistical; D008968:Molecular Conformation; D009690:Nucleic Acid Conformation / Q000187:drug effects; D009838:Oligodeoxyribonucleotides / Q000737:chemistry*; D011485:Protein Binding; D011487:Protein Conformation; D011806:Quinolinium Compounds / Q000737:chemistry*; D012492:Salts / Q000737:chemistry; D013941:Thymine / Q000737:chemistry
chemical_list: D000970:Antineoplastic Agents; D008024:Ligands; D046911:Macromolecular Substances; D009838:Oligodeoxyribonucleotides; D011806:Quinolinium Compounds; D012492:Salts; D004247:DNA; D013941:Thymine