4L26

Crystal structure of DNA duplex containing consecutive T-T mispairs (Br-derivative)

Summary for 4L26

• Entry DOI: 10.2210/pdb4l26/pdb
• Related: 4L24 4L25
• Descriptor: DNA (5'-D(*CP*GP*(CBR)P*GP*AP*TP*TP*TP*CP*GP*CP*G)-3') (2 entities in total)
• Functional Keywords: t-t mispair, a-t-t triplet, non-helical dna duplex, dna
• Total number of polymer chains: 2
• Total formula weight: 7466.55

Authors

Kondo, J.,Yamada, T.,Hirose, C.,Tanaka, Y.,Ono, A. (deposition date: 2013-06-04, release date: 2014-03-05, Last modification date: 2024-03-20)

Primary citation

Kondo, J.,Yamada, T.,Hirose, C.,Okamoto, I.,Tanaka, Y.,Ono, A.
Crystal Structure of Metallo DNA Duplex Containing Consecutive Watson-Crick-like T-Hg(II) -T Base Pairs
Angew.Chem.Int.Ed.Engl., 53:2385-2388, 2014

PubMed Abstract: The metallo DNA duplex containing mercury-mediated T-T base pairs is an attractive biomacromolecular nanomaterial which can be applied to nanodevices such as ion sensors. Reported herein is the first crystal structure of a B-form DNA duplex containing two consecutive T-Hg(II)-T base pairs. The Hg(II) ion occupies the center between two T residues. The N3-Hg(II) bond distance is 2.0 Å. The relatively short Hg(II)-Hg(II) distance (3.3 Å) observed in consecutive T-Hg(II)-T base pairs suggests that the metallophilic attraction could exist between them and may stabilize the B-form double helix. To support this, the DNA duplex is largely distorted and adopts an unusual nonhelical conformation in the absence of Hg(II). The structure of the metallo DNA duplex itself and the Hg(II)-induced structural switching from the nonhelical form to the B-form provide the basis for structure-based design of metal-conjugated nucleic acid nanomaterials.

PubMed: 24478025
DOI: 10.1002/anie.201309066

Experimental method

X-RAY DIFFRACTION (1.4 Å)