4DA3

Crystal structure of an intramolecular human telomeric DNA G-quadruplex 21-mer bound by the naphthalene diimide compound MM41.

Summary for 4DA3

• Entry DOI: 10.2210/pdb4da3/pdb
• Related: 3SC8 3T5E 3UYH 4DAQ
• Descriptor: DNA (5'-D(*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*G)-3'), POTASSIUM ION, 4,9-bis{[3-(4-methylpiperazin-1-yl)propyl]amino}-2,7-bis[3-(morpholin-4-yl)propyl]benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone, ... (4 entities in total)
• Functional Keywords: intramolecular, ligand-complex, g-quadruplex, telomere, dna
• Biological source: Synthetic DNA
• Total number of polymer chains: 1
• Total formula weight: 7618.64

Authors

Collie, G.W.,Neidle, S. (deposition date: 2012-01-12, release date: 2013-01-30, Last modification date: 2023-09-13)

• Primary citation: Micco, M.,Collie, G.W.,Dale, A.G.,Ohnmacht, S.A.,Pazitna, I.,Gunaratnam, M.,Reszka, A.P.,Neidle, S.; Structure-based design and evaluation of naphthalene diimide g-quadruplex ligands as telomere targeting agents in pancreatic cancer cells.; J.Med.Chem., 56:2959-2974, 2013; PubMed: 23514618; DOI: 10.1021/jm301899y

Experimental method

X-RAY DIFFRACTION (2.4 Å)