Variable role of ions in two drug intercalation complexes of DNA

N Valls; RA Steiner; G Wright; GN Murshudov; JA Subirana

doi:10.1007/s00775-005-0655-3

Variable role of ions in two drug intercalation complexes of DNA

N Valls, RA Steiner, G Wright, GN Murshudov, JA Subirana

Research output: Contribution to journal › Article › peer-review

10 Citations (Scopus)

Abstract

The crystal structures of the hexamer duplex d(CGTACG)(2) complexed with the intercalating anthraquinone derivative 1,5-bis[3-(diethylamino)propionamido]anthracene-9,10-dione and the acridine derivative 9-acridinyl tetralysine have been solved at 2.0- and 1.4-A resolution, respectively. In both cases, the drugs adopt multiple orientations within a large DNA cavity constituted by two groups of four approximately coplanar bases. Cations play a pivotal role in the crystal structure. Both complexes crystallise in the presence of Co(2+), Ba(2+) and Na(+) ions. They reveal at least two different types of coordination environments: (1) specific sites for Co(2+) interacting with N7 of guanine; (2) a central ionic site formed by four phosphate groups, which can be occupied by different ions. One more ionic site that is not always occupied by ions is also visible in the electron density map. All of them play a role in the crystal structure.

Original language	English
Pages (from-to)	476 - 482
Number of pages	7
Journal	Journal of Biological Inorganic Chemistry
Volume	10
Issue number	5
DOIs	https://doi.org/10.1007/s00775-005-0655-3
Publication status	Published - Aug 2005

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title = "Variable role of ions in two drug intercalation complexes of DNA",

abstract = "The crystal structures of the hexamer duplex d(CGTACG)(2) complexed with the intercalating anthraquinone derivative 1,5-bis[3-(diethylamino)propionamido]anthracene-9,10-dione and the acridine derivative 9-acridinyl tetralysine have been solved at 2.0- and 1.4-A resolution, respectively. In both cases, the drugs adopt multiple orientations within a large DNA cavity constituted by two groups of four approximately coplanar bases. Cations play a pivotal role in the crystal structure. Both complexes crystallise in the presence of Co(2+), Ba(2+) and Na(+) ions. They reveal at least two different types of coordination environments: (1) specific sites for Co(2+) interacting with N7 of guanine; (2) a central ionic site formed by four phosphate groups, which can be occupied by different ions. One more ionic site that is not always occupied by ions is also visible in the electron density map. All of them play a role in the crystal structure.",

author = "N Valls and RA Steiner and G Wright and GN Murshudov and JA Subirana",

year = "2005",

month = aug,

doi = "10.1007/s00775-005-0655-3",

language = "English",

volume = "10",

pages = "476 -- 482",

journal = "Journal of Biological Inorganic Chemistry",

publisher = "Springer Verlag",

number = "5",

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TY - JOUR

T1 - Variable role of ions in two drug intercalation complexes of DNA

AU - Valls, N

AU - Steiner, RA

AU - Wright, G

AU - Murshudov, GN

AU - Subirana, JA

PY - 2005/8

Y1 - 2005/8

N2 - The crystal structures of the hexamer duplex d(CGTACG)(2) complexed with the intercalating anthraquinone derivative 1,5-bis[3-(diethylamino)propionamido]anthracene-9,10-dione and the acridine derivative 9-acridinyl tetralysine have been solved at 2.0- and 1.4-A resolution, respectively. In both cases, the drugs adopt multiple orientations within a large DNA cavity constituted by two groups of four approximately coplanar bases. Cations play a pivotal role in the crystal structure. Both complexes crystallise in the presence of Co(2+), Ba(2+) and Na(+) ions. They reveal at least two different types of coordination environments: (1) specific sites for Co(2+) interacting with N7 of guanine; (2) a central ionic site formed by four phosphate groups, which can be occupied by different ions. One more ionic site that is not always occupied by ions is also visible in the electron density map. All of them play a role in the crystal structure.

AB - The crystal structures of the hexamer duplex d(CGTACG)(2) complexed with the intercalating anthraquinone derivative 1,5-bis[3-(diethylamino)propionamido]anthracene-9,10-dione and the acridine derivative 9-acridinyl tetralysine have been solved at 2.0- and 1.4-A resolution, respectively. In both cases, the drugs adopt multiple orientations within a large DNA cavity constituted by two groups of four approximately coplanar bases. Cations play a pivotal role in the crystal structure. Both complexes crystallise in the presence of Co(2+), Ba(2+) and Na(+) ions. They reveal at least two different types of coordination environments: (1) specific sites for Co(2+) interacting with N7 of guanine; (2) a central ionic site formed by four phosphate groups, which can be occupied by different ions. One more ionic site that is not always occupied by ions is also visible in the electron density map. All of them play a role in the crystal structure.

U2 - 10.1007/s00775-005-0655-3

DO - 10.1007/s00775-005-0655-3

M3 - Article

VL - 10

SP - 476

EP - 482

JO - Journal of Biological Inorganic Chemistry

JF - Journal of Biological Inorganic Chemistry

IS - 5

ER -

Variable role of ions in two drug intercalation complexes of DNA

Abstract

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