7KWK

DNA-DB1879 complex: The DNA sequence 5'-CGCGAATTCGCG-3' presents a binding site for the heterocyclic small molecule (DB1879).

Summary for 7KWK

• Entry DOI: 10.2210/pdb7kwk/pdb
• Descriptor: DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), 2-[5-(4-carbamimidoylphenyl)thiophen-2-yl]-1H-indole-6-carboximidamide, MAGNESIUM ION, ... (4 entities in total)
• Functional Keywords: dna
• Biological source: Homo sapiens
• Total number of polymer chains: 2
• Total formula weight: 7710.54

Authors

Ogbonna, E.,Fang, Z.,Wilson, D.W. (deposition date: 2020-12-01, release date: 2021-12-08, 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 (1.37 Å)