3CE5

A bimolecular parallel-stranded human telomeric quadruplex in complex with a 3,6,9-trisubstituted acridine molecule BRACO19

Summary for 3CE5

• Entry DOI: 10.2210/pdb3ce5/pdb
• Related: 1K8P
• Descriptor: DNA (5'-D(*DTP*DAP*DGP*DGP*DGP*DTP*DTP*DAP*DGP*DGP*DGP*DT)-3'), POTASSIUM ION, 9-[4-(n,n-dimethylamino)phenylamino]-3,6-bis(3-pyrrolidinopropionamido) acridine, ... (4 entities in total)
• Functional Keywords: bimolecular, parallel, human, telomere, quadruplex, complex, trisubstituted, acridine, braco19, dna
• Total number of polymer chains: 2
• Total formula weight: 8218.88

Authors

Campbell, N.H.,Parkinson, G.N.,Reszka, A.P.,Neidle, S. (deposition date: 2008-02-28, release date: 2008-05-13, Last modification date: 2023-08-30)

Primary citation

Campbell, N.H.,Parkinson, G.N.,Reszka, A.P.,Neidle, S.
Structural basis of DNA quadruplex recognition by an acridine drug.
J.Am.Chem.Soc., 130:6722-6724, 2008

PubMed Abstract: The crystal structure of a complex between the bimolecular human telomeric quadruplex d(TAGGGTTAGGGT)2 and the experimental anticancer drug BRACO-19, has been determined, to 2.5 A resolution. The binding site for the BRACO-19 molecule is at the interface of two parallel-folded quadruplexes, sandwiched between a G-tetrad surface and a TATA tetrad, and held in the site by networks of water molecules. The structure rationalizes the existing structure-activity data and provides a starting-point for the structure-based design of quadruplex-binding ligands

PubMed: 18457389
DOI: 10.1021/ja8016973

Experimental method

X-RAY DIFFRACTION (2.5 Å)