title: Crystallization and preliminary X-ray analysis of anti-cancer agent 3-(9-acridinylamino)-5-(hydroxymethyl)aniline complexed with the DNA hexamer d(CGTACG)2.
abstract: 3-(9-Acridinylamino)-5-(hydroxymethyl)aniline (AHMA) is an anti-cancer agent with significant efficacy against murine leukemia and solid tumors. As a DNA topoisomerase inhibitor, AHMA is proposed to form a ternary complex with DNA and topoisomerase and bind to DNA in an intercalative manner. In order to understand the interactions between AHMA and DNA and study the structure-function relationship of amsacrine analogue, the AHMA-d(CGTACG)(2) complex was crystallized using the sitting-drop vapor-diffusion method. The native crystals diffract to 2.9-A resolution and belong to space group P3(1)21 or P3(2)21 with unit-cell parameters a=b=57.52, c=122.17 A when analyzed using Cu Kalpha radiation. Patterson map indicates that in the crystal, the directions of the DNA base stacking are nearly perpendicular to the c-axis of the crystal unit cell.
authors.affiliation: Department of Chemistry, Hunter College of The City University of New York, New York, NY 10071, USA. xcdong@nankai.edu.cn
authors.forename: Xiangchao
authors.initials: X
authors.lastname: Dong
mesh_terms: D000166:Acridines / Q000737:chemistry* / Q000302:isolation & purification* / Q000378:metabolism; D000814:Aniline Compounds / Q000737:chemistry* / Q000302:isolation & purification* / Q000378:metabolism; D000970:Antineoplastic Agents / Q000737:chemistry* / Q000302:isolation & purification* / Q000378:metabolism; D018360:Crystallography, X-Ray; D009841:Oligonucleotides / Q000378:metabolism*
chemical_list: C466640:3-(9-acridinylamino)-5-hydroxymethylaniline; D000166:Acridines; D000814:Aniline Compounds; D000970:Antineoplastic Agents; D009841:Oligonucleotides