1DSI

Solution structure of a duocarmycin sa-indole-alkylated dna dupleX

Summary for 1DSI

• Entry DOI: 10.2210/pdb1dsi/pdb
• Descriptor: DNA (5'-D(*GP*AP*CP*TP*AP*AP*TP*TP*GP*AP*C)-3'), DNA (5'-D(*GP*TP*CP*AP*AP*TP*TP*AP*GP*TP*C)-3'), 4-HYDROXY-6-(1H-INDOLE-2-CARBONYL)-8-METHYL-3,6,7,8-TETRAHYDRO-3,6-DIAZA-AS-INDACENE-2-CARBOXYLIC ACID METHYL ESTER (3 entities in total)
• Functional Keywords: deoxyribonucleic acid, duocarmycin, dna, minor groove binding, antitumor agent, ligand-dna complex
• Total number of polymer chains: 2
• Total formula weight: 7094.84

Authors

Schnell, J.R.,Ketchem, R.R.,Boger, D.L.,Chazin, W.J. (deposition date: 1998-07-29, release date: 1998-08-05, Last modification date: 2022-02-16)

• Primary citation: Schnell, J.R.,Ketchem, R.R.,Boger, D.L.,Chazin, W.J.; Binding-Induced Activation of DNA Alkylation by Duocarmycin SA: Insights from the Structure of an Indole Derivative-DNA Adduct; J.Am.Chem.Soc., 121:5645-5652, 1999; DOI: 10.1021/ja983556j

Experimental method

SOLUTION NMR