8CMM

Re-pairing DNA - binding of a ruthenium phi complex to a double mismatch

8CMM の概要

• エントリーDOI: 10.2210/pdb8cmm/pdb
• 分子名称: DNA (5'-D(*CP*GP*CP*TP*AP*TP*AP*AP*TP*GP*CP*G)-3'), ruthenium polypyridyl complex (delta enantiomer), ruthenium polypyridyl complex (lambda enantiomer), ... (6 entities in total)
• 機能のキーワード: dna mismatch, ruthenium, polypyridyl, intercalation, dna
• 由来する生物種: synthetic construct
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 5082.99

構造登録者

Prieto Otoya, T.D.,Cardin, C.J.,McQuaid, K.M. (登録日: 2023-02-20, 公開日: 2024-03-06, 最終更新日: 2025-12-10)

主引用文献

Prieto Otoya, T.D.,McQuaid, K.T.,Paterson, N.G.,Cardin, D.J.,Kellett, A.,Cardin, C.J.
Re-pairing DNA: binding of a ruthenium phi complex to a double mismatch.
Chem Sci, 15:9096-9103, 2024

PubMed Abstract: We report a crystal structure at atomic resolution (0.9 Å) of a ruthenium complex bound to a consecutive DNA double mismatch, which results in a TA basepair with flipped out thymine, together with the formation of an adenine bulge. The structure shows a form of metalloinsertion interaction of the Λ-[Ru(phen)phi] (phi = 9,10-phenanthrenediimine) complex at the bulge site. The metal complex interacts with the DNA the major groove, where specific interactions between the adenines of the DNA and the phen ligands of the complex are formed. One Δ-[Ru(phen)phi] complex interacts the minor groove, which shows sandwiching of its phi ligand between the phi ligands of the other two ruthenium complexes, and no interaction of its phen ligands with DNA. To our knowledge, this binding model represents a new form of metalloinsertion in showing major rather than minor groove insertion.

PubMed: 38903237
DOI: 10.1039/d4sc01448k

実験手法

X-RAY DIFFRACTION (0.9 Å)