7KU4

DNA-DB818 complex: The DNA sequence 5'-CGCGAATTCGCG-3' presents a binding site for the heterocyclic small molecule (DB818).

Summary for 7KU4

• Entry DOI: 10.2210/pdb7ku4/pdb
• Descriptor: 1:(5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), 2-(5-{4-[AMINO(IMINO)METHYL]PHENYL}-2-THIENYL)-1H-BENZIMIDAZOLE-6- CARBOXIMIDAMIDE DIHYDROCHLORIDE, MAGNESIUM ION, ... (4 entities in total)
• Functional Keywords: dna-molecule complex, dna
• Biological source: Homo sapiens
• Total number of polymer chains: 2
• Total formula weight: 7711.52

Authors

Ogbonna, E.,Fang, Z.,Wilson, W.D. (deposition date: 2020-11-24, release date: 2021-12-01, Last modification date: 2023-10-18)

• Primary citation: Ogbonna, E.N.,Paul, A.,Ross Terrell, J.,Fang, Z.,Chen, C.,Poon, G.M.K.,Boykin, D.W.,Wilson, W.D.; Drug design and DNA structural research inspired by the Neidle laboratory: DNA minor groove binding and transcription factor inhibition by thiophene diamidines.; Bioorg.Med.Chem., 68:116861-116861, 2022; PubMed: 35661929; DOI: 10.1016/j.bmc.2022.116861

Experimental method

X-RAY DIFFRACTION (1.6 Å)