title: Molecular structure of the complex formed between the anticancer drug cisplatin and d(pGpG): C222(1) crystal form.
abstract: The three dimensional molecular structure of the adduct formed between the anticancer drug cisplatin and a DNA dinucleotide d(pGpG) has been determined by x-ray diffraction analysis at 1.37 A resolution and refined to a final R-factor of 0.11. This structure, solved by using data from a previously reported crystal form in the space group C222(1), resembles that found in the space group P2(1)2(1)2 (Sherman, et al., Science, 230, 412-417, 1985; ibid, J. Amer. Chem. Soc. 110, 7368-7381, 1988). In both structures, four crystallographically independent cis-[Pt(NH3)2(d(pGpG]] molecules aggregate into a tetrameric cluster that is stabilized by a large number of intermolecular hydrogen bonds and base-base stacking interactions. In each molecule, the platinum atom is coordinated to the N7 atoms of two guanine bases arranged in a head-to-head orientation, resulting in a large dihedral angle between the guanines. Intermolecular guanine-guanine base pairings between different intrastrand crosslinked molecules are used extensively in the crystal lattice.
authors: Department of Biology, Massachusetts Institute of Technology, Cambridge 02139.
authors: M
authors: M
authors: Coll
authors: S E
authors: SE
authors: Sherman
authors: D
authors: D
authors: Gibson
authors: S J
authors: SJ
authors: Lippard
authors: A H
authors: AH
authors: Wang
mesh_terms: D001482:Base Composition; D001483:Base Sequence; D002945:Cisplatin / Q000737:chemistry*; D004247:DNA / Q000737:chemistry*; D006150:Guanine Nucleotides / Q000737:chemistry; D006153:Guanosine Diphosphate / Q000031:analogs & derivatives* / Q000737:chemistry; D006860:Hydrogen Bonding; D008969:Molecular Sequence Data; D009690:Nucleic Acid Conformation; D013237:Stereoisomerism; D014961:X-Ray Diffraction
chemical_list: D006150:Guanine Nucleotides; D006153:Guanosine Diphosphate; C065276:2'-deoxyguanosine 3',5'-diphosphate; D004247:DNA; D002945:Cisplatin