2MG8

Solution structure of TFF1 Estrogen Response Element complexed with DNA Bis-intercalating Anticancer Drug XR5944 (MLN944)

Summary for 2MG8

• Entry DOI: 10.2210/pdb2mg8/pdb
• Related: 1X95
• NMR Information: BMRB: 19592
• Descriptor: 5'-D(*AP*GP*GP*TP*CP*AP*CP*GP*GP*TP*GP*GP*CP*CP*A)-3', 5'-D(*TP*GP*GP*CP*CP*AP*CP*CP*GP*TP*GP*AP*CP*CP*T)-3', 1-METHYL-9-[12-(9-METHYLPHENAZIN-10-IUM-1-YL)-12-OXO-2,11-DIAZA-5,8-DIAZONIADODEC-1-ANOYL]PHENAZIN-10-IUM (3 entities in total)
• Functional Keywords: breast cancer drug, dna bis-intercalation, ere-targeting small molecule anticancer drug, dna
• Total number of polymer chains: 2
• Total formula weight: 10362.39

Authors

Lin, C. (deposition date: 2013-10-30, release date: 2014-04-23, Last modification date: 2024-05-01)

• Primary citation: Lin, C.,Mathad, R.I.,Zhang, Z.,Sidell, N.,Yang, D.; Solution structure of a 2:1 complex of anticancer drug XR5944 with TFF1 estrogen response element: insights into DNA recognition by a bis-intercalator.; Nucleic Acids Res., 42:6012-6024, 2014; PubMed: 24711371; DOI: 10.1093/nar/gku219

Experimental method

SOLUTION NMR