PDBsum entry 1zph

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PDB id:
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)
1.80Å     R-factor:   0.240     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
16-May-05     Release date:   11-Oct-05    


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.
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.  

Literature references that cite this PDB file's key reference

  PubMed id Reference
19122895 D.R.Boer, A.Canals, and M.Coll (2009).
DNA-binding drugs caught in action: the latest 3D pictures of drug-DNA complexes.
  Dalton Trans, (), 399-414.  
19417133 J.Datta, K.Ghoshal, W.A.Denny, S.A.Gamage, D.G.Brooke, P.Phiasivongsa, S.Redkar, and S.T.Jacob (2009).
A new class of quinoline-based DNA hypomethylating agents reactivates tumor suppressor genes by blocking DNA methyltransferase 1 activity and inducing its degradation.
  Cancer Res, 69, 4277-4285.  
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