1FMS

Structure of complex between cyclohexyl-bis-furamidine and d(CGCGAATTCGCG)

Summary for 1FMS

• Entry DOI: 10.2210/pdb1fms/pdb
• Descriptor: 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', MAGNESIUM ION, 2,5-BIS{[4-(N-CYCLOHEXYLDIAMINOMETHYL)PHENYL]}FURAN, ... (4 entities in total)
• Functional Keywords: dna-drug minor groove complex, dna
• Total number of polymer chains: 2
• Total formula weight: 7823.75

Authors

Simpson, I.J.,Lee, M.,Kumar, A.,Boykin, D.W.,Neidle, S. (deposition date: 2000-08-18, release date: 2000-09-11, Last modification date: 2024-02-07)

Primary citation

Simpson, I.J.,Lee, M.,Kumar, A.,Boykin, D.W.,Neidle, S.
DNA minor groove interactions and the biological activity of 2,5-bis-[4-(N-alkylamidino)phenyl] furans
Bioorg.Med.Chem.Lett., 10:2593-2597, 2000

PubMed 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.

PubMed: 11128631
DOI: 10.1016/S0960-894X(00)00511-4

Experimental method

X-RAY DIFFRACTION (1.9 Å)