Summary information and primary citation

PDB-id
1fms; DSSR-derived features in text and JSON formats
Class
DNA
Method
X-ray (1.9 Å)
Summary
Structure of complex between cyclohexyl-bis-furamidine and d(cgcgaattcgcg)
Reference
Simpson IJ, Lee M, Kumar A, Boykin DW, Neidle S (2000): "DNA minor groove interactions and the biological activity of 2,5-bis-[4-(N-alkylamidino)phenyl] furans." Bioorg.Med.Chem.Lett., 10, 2593-2597. doi: 10.1016/S0960-894X(00)00511-4.
Abstract
2,5-Bis-[4-(N-cyclobutyl-amidino)phenyl] furan and 2,5-bis-[4-(N-cyclohexyl-amidino)phenyl] furan have activity against Pneumocystis carinii and also show cytotoxicity against several tumour cell lines. These activities are correlated with DNA-binding abilities; the crystal structures of complexes with the DNA sequence d(CGCGAATTCGCG) is reported here. Interactions with, and effects on, the DNA minor groove, are found to be factors in the biological properties of these compounds.

Cartoon-block schematics in six views (download the tarball)

PyMOL session file Download PDB file View in 3Dmol.js