8V9N

Human PU.1 ETS-Domain (165-270) Bound to d(AATAGAAGGAAGTGGG)

Summary for 8V9N

• Entry DOI: 10.2210/pdb8v9n/pdb
• Descriptor: DNA (5'-D(*AP*AP*TP*AP*GP*AP*AP*GP*GP*AP*AP*GP*TP*GP*GP*G)-3'), DNA (5'-D(*TP*CP*CP*CP*AP*CP*TP*TP*CP*CP*TP*TP*CP*TP*AP*T)-3'), Transcription factor PU.1, ... (4 entities in total)
• Functional Keywords: minor groove binder, dna binding small molecule, diamidine, pu.1, transcription factor, transcriptional inhibition, transcription
• Biological source: Homo sapiens (human); More
• Total number of polymer chains: 3
• Total formula weight: 22231.98

Authors

Terrell, J.R.,Ogbonna, E.N.,Poon, G.M.K.,Wilson, W.D. (deposition date: 2023-12-08, release date: 2024-10-02, Last modification date: 2024-11-06)

Primary citation

Ogbonna, E.N.,Terrell, J.R.,Paul, A.,Farahat, A.A.,Poon, G.M.K.,Boykin, D.W.,Wilson, W.D.
Single GC base pair recognition by a heterocyclic diamidine: structures, affinities, and dynamics.
Rsc Adv, 14:29675-29682, 2024

PubMed Abstract: The recognition of specific genomic arrangements by rationally designed small molecules is fundamental for the expansion of targeted gene expression. Here, we report the first X-ray crystal structures that demonstrate single G (guanine) recognition by a highly selective diamidine (DB2447) in a mixed DNA sequence. The study presents detailed structural information on the mechanism of single G recognition by D2447 and its various interactions in the DNA minor groove. Molecular dynamics and binding studies were used to evaluate the details of our reported structures. The study provides structural insight and resources necessary for understanding single G selection in genomic sequences.

PubMed: 39297050
DOI: 10.1039/d4ra05957c

Experimental method

X-RAY DIFFRACTION (1.78 Å)