2KY7

NMR Structural Studies on the Covalent DNA Binding of a Pyrrolobenzodiazepine-Naphthalimide Conjugate

Summary for 2KY7

• Entry DOI: 10.2210/pdb2ky7/pdb
• Descriptor: 5'-D(*AP*AP*CP*AP*AP*TP*TP*GP*TP*T)-3', 2-{2-[4-(3-{[(11aS)-7-methoxy-5-oxo-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl]oxy}propyl)piperazin-1-yl]ethyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione (2 entities in total)
• Functional Keywords: dna duplex, pyrrolobenzodiazepine, pbd-naphthalimide hybrid, dna-drug complex, dna
• Total number of polymer chains: 2
• Total formula weight: 6683.76

Authors

Rettig, M.,Langel, W.,Kamal, A.,Weisz, K. (deposition date: 2010-05-17, release date: 2010-06-02, Last modification date: 2011-07-13)

• Primary citation: Rettig, M.,Langel, W.,Kamal, A.,Weisz, K.; NMR structural studies on the covalent DNA binding of a pyrrolobenzodiazepine-naphthalimide conjugate; Org.Biomol.Chem., 8:3179-3187, 2010; PubMed: 20490406; DOI: 10.1039/c001893g

Experimental method

SOLUTION NMR