PDBsum entry 1zph

DNA

PDB id: 1zph

Contents

DNA/RNA

Ligands

SN8

Metals

_MG

Waters ×33

PDB id:

1zph

Name:

DNA

Title:

Crystal structure analysis of the minor groove binding quinolinium quaternary salt sn 8315 complexed with cgcgaattcgcg

Structure:

5'-d( Cp Gp Cp Gp Ap Ap Tp Tp Cp Gp Cp G)-3'. Chain: a, b. Engineered: yes

Source:

Synthetic: yes

Biol. unit:

Dimer (from PQS)

Resolution:

1.80Å R-factor: 0.241 R-free: 0.314

Authors:

A.Adams,C.Leong,W.A.Denny,J.M.Guss

Key ref:

A.Adams et al. (2005). Structures of two minor-groove-binding quinolinium quaternary salts complexed with d(CGCGAATTCGCG)(2) at 1.6 and 1.8 Angstrom resolution. Acta Crystallogr D Biol Crystallogr, 61, 1348-1353. PubMed id: 16204886 DOI: 10.1107/S0907444905022997

Date:

16-May-05 Release date: 11-Oct-05

DNA/RNA chains

C-G-C-G-A-A-T-T-C-G-C-G 12 bases

C-G-C-G-A-A-T-T-C-G-C-G 12 bases

DOI no: 10.1107/S0907444905022997

Acta Crystallogr D Biol Crystallogr 61:1348-1353 (2005)

PubMed id: 16204886

Structures of two minor-groove-binding quinolinium quaternary salts complexed with d(CGCGAATTCGCG)(2) at 1.6 and 1.8 Angstrom resolution.

A.Adams, C.Leong, W.A.Denny, J.M.Guss.

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.

Selected figure(s)

Figure 1.
Figure 1 Structure of the compounds.

The above figure is reprinted by permission from the IUCr: Acta Crystallogr D Biol Crystallogr (2005, 61, 1348-1353) copyright 2005.

Figure was selected by an automated process.