3QSF

The first crystal structure of a human telomeric G-quadruplex DNA bound to a metal-containing ligand (a nickel complex)

Summary for 3QSF

• Entry DOI: 10.2210/pdb3qsf/pdb
• Related: 1K8P 1KF1 2HRI 3CCO 3CDM 3CE5 3QSC
• Descriptor: 5'-D(*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*T)-3', POTASSIUM ION, [2,2'-{(4,5-difluorobenzene-1,2-diyl)bis[(nitrilo-kappaN)methylylidene]}bis{5-[2-(piperidin-1-yl)ethoxy]phenolato-kappa O}(2-)]nickel (II), ... (4 entities in total)
• Functional Keywords: parallel, telomere, nickel, drug, dna, metal complex
• Total number of polymer chains: 1
• Total formula weight: 4554.14

Authors

Campbell, N.H.,Abd Karim, N.H.,Parkinson, G.N.,Vilar, R.,Neidle, S. (deposition date: 2011-02-21, release date: 2011-12-07, Last modification date: 2023-09-13)

• Primary citation: Campbell, N.H.,Karim, N.H.,Parkinson, G.N.,Gunaratnam, M.,Petrucci, V.,Todd, A.K.,Vilar, R.,Neidle, S.; Molecular basis of structure-activity relationships between salphen metal complexes and human telomeric DNA quadruplexes.; J.Med.Chem., 55:209-222, 2012; PubMed: 22112241; DOI: 10.1021/jm201140v

Experimental method

X-RAY DIFFRACTION (2.4 Å)