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X-ray crystallographic analysis of 3-(2'-phenyl-2,4'-bithiazole-4-carboxamido) propyldimethylsulphonium iodide, an analogue of the DNA-binding portion of bleomycin A2.

Kuroda, R; Neidle, S; Riordan, JM; Sakai, TT; (1982) X-ray crystallographic analysis of 3-(2'-phenyl-2,4'-bithiazole-4-carboxamido) propyldimethylsulphonium iodide, an analogue of the DNA-binding portion of bleomycin A2. Nucleic Acids Res , 10 (15) 4753 - 4763. 10.1093/nar/10.15.4753. Green open access

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Abstract

The crystal and molecular structure of the title compound, an analogue of the DNA binding region of bleomycin A2, has been determined by X-ray crystallography. All the three independent molecules in an asymmetric unit are approximately planar with fully extended side chains. A computer graphics model-building study has shown that the phenyl group and the second thiazole ring can be intercalated between the base pairs of the double-stranded deoxydinucleoside phosphate d(CpG), and also that the sulphonium cation can interact with a backbone phosphate group. This model is in accord with NMR spectral data.

Type: Article
Title: X-ray crystallographic analysis of 3-(2'-phenyl-2,4'-bithiazole-4-carboxamido) propyldimethylsulphonium iodide, an analogue of the DNA-binding portion of bleomycin A2.
Location: ENGLAND
Open access status: An open access version is available from UCL Discovery
DOI: 10.1093/nar/10.15.4753
Publisher version: http://dx.doi.org/10.1093/nar/10.15.4753
Language: English
Additional information: PMCID: PMC321126. © IRL Press Limited.
Keywords: Bleomycin, Computers, DNA, Models, Molecular, Nucleic Acid Conformation, Thiazoles, X-Ray Diffraction
UCL classification: UCL > Provost and Vice Provost Offices
UCL > Provost and Vice Provost Offices > School of Life and Medical Sciences
UCL > Provost and Vice Provost Offices > School of Life and Medical Sciences > Faculty of Life Sciences
UCL > Provost and Vice Provost Offices > School of Life and Medical Sciences > Faculty of Life Sciences > UCL School of Pharmacy
URI: http://discovery.ucl.ac.uk/id/eprint/1367914
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