1ZPI

Crystal structure analysis of the minor groove binding quinolinium quaternary salt SN 8224 complexed with CGCGAATTCGCG

Summary for 1ZPI

• Entry DOI: 10.2210/pdb1zpi/pdb
• Related: 1ZPH
• Descriptor: 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', MAGNESIUM ION, 8-METHOXY-1-METHYL-4-(4-(4-(1-METHYLPYRIDINIUM-4-YLAMINO)PHENYLCARBAMOYL)PHENYLAMINO)QUINOLINIUM, ... (4 entities in total)
• Functional Keywords: b-dna, dodecamer, minor groove binding complex, dna
• Total number of polymer chains: 2
• Total formula weight: 7860.81

Authors

Adams, A.,Leong, C.,Denny, W.A.,Guss, J.M. (deposition date: 2005-05-16, release date: 2005-10-11, Last modification date: 2024-04-03)

Primary citation

Adams, A.,Leong, C.,Denny, W.A.,Guss, J.M.
Structures of two minor-groove-binding quinolinium quaternary salts complexed with d(CGCGAATTCGCG)(2) at 1.6 and 1.8 Angstrom resolution.
Acta Crystallogr.,Sect.D, 61:1348-1353, 2005

PubMed Abstract: The structures of the complexes formed between two anticancer minor-groove-binding quinolinium quaternary salts and the dodecamer d(CGCGAATTCGCG)(2) have been refined to resolutions of 1.6 and 1.8 Angstrom. The complexes crystallized in space group P2(1)2(1)2(1) and the structures are isomorphous with previously solved dodecamer structures. The ligands both bind in the central AT region of the minor groove and although the crystallization conditions and structures of the ligands are very similar, they bind in opposing orientations. The structures are compared with two previously published structures of quinolinium quaternary salts, refined at 2.5 Angstrom resolution, complexed with d(CGCGAATTCGCG)(2) and an e(6)G-modified DNA.

PubMed: 16204886
DOI: 10.1107/S0907444905022997

Experimental method

X-RAY DIFFRACTION (1.6 Å)