8OYR

DNA Major Groove Binding by lambda-[Ru(phen)2(phi)]2+

8OYR の概要

• エントリーDOI: 10.2210/pdb8oyr/pdb
• 分子名称: DNA (5'-D(*CP*CP*GP*GP*TP*AP*CP*CP*GP*G)-3'), ruthenium polypyridyl complex (lambda enantiomer), STRONTIUM ION, ... (4 entities in total)
• 機能のキーワード: major groove, b-dna, ruthenium complex, ruthenium polypyridyl, decamer, small molecule, 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: 5224.40

構造登録者

Prieto-Otoya, T.D.,Cardin, C.J.,McQuaid, K.T.,Paterson, N.G. (登録日: 2023-05-05, 公開日: 2024-03-13, 最終更新日: 2025-12-10)

主引用文献

Prieto Otoya, T.D.,McQuaid, K.T.,Hennessy, J.,Menounou, G.,Gibney, A.,Paterson, N.G.,Cardin, D.J.,Kellett, A.,Cardin, C.J.
Probing a Major DNA Weakness: Resolving the Groove and Sequence Selectivity of the Diimine Complex Lambda-[Ru(phen) 2 phi] 2.
Angew.Chem.Int.Ed.Engl., 63:e202318863-e202318863, 2024

PubMed Abstract: The grooves of DNA provide recognition sites for many nucleic acid binding proteins and anticancer drugs such as the covalently binding cisplatin. Here we report a crystal structure showing, for the first time, groove selectivity by an intercalating ruthenium complex. The complex Λ-[Ru(phen) phi] , where phi=9,10-phenanthrenediimine, is bound to the DNA decamer duplex d(CCGGTACCGG) . The structure shows that the metal complex is symmetrically bound in the major groove at the central TA/TA step, and asymmetrically bound in the minor groove at the adjacent GG/CC steps. A third type of binding links the strands, in which each terminal cytosine base stacks with one phen ligand. The overall binding stoichiometry is four Ru complexes per duplex. Complementary biophysical measurements confirm the binding preference for the Λ-enantiomer and show a high affinity for TA/TA steps and, more generally, TA-rich sequences. A striking enantiospecific elevation of melting temperatures is found for oligonucleotides which include the TATA box sequence.

PubMed: 38271265
DOI: 10.1002/anie.202318863

実験手法

X-RAY DIFFRACTION (2.21 Å)