2ORH

Directing Macromolecular Conformation Through Halogen Bonds

Summary for 2ORH

• Entry DOI: 10.2210/pdb2orh/pdb
• Related: 2ORF 2ORG
• Descriptor: DNA (5'-D(*CP*CP*GP*AP*TP*AP*CP*CP*GP*G)-3'), DNA (5'-D(*CP*CP*GP*GP*TP*AP*(DU)P*CP*GP*G)-3'), SODIUM ION, ... (4 entities in total)
• Functional Keywords: dna holliday junction, halogen bond, dna
• Total number of polymer chains: 2
• Total formula weight: 6122.95

Authors

Voth, A.R.,Hays, F.A.,Ho, P.S. (deposition date: 2007-02-02, release date: 2007-03-27, Last modification date: 2023-08-30)

Primary citation

Voth, A.R.,Hays, F.A.,Ho, P.S.
Directing macromolecular conformation through halogen bonds.
Proc.Natl.Acad.Sci.Usa, 104:6188-6193, 2007

PubMed Abstract: The halogen bond, a noncovalent interaction involving polarizable chlorine, bromine, or iodine molecular substituents, is now being exploited to control the assembly of small molecules in the design of supramolecular complexes and new materials. We demonstrate that a halogen bond formed between a brominated uracil and phosphate oxygen can be engineered to direct the conformation of a biological molecule, in this case to define the conformational isomer of a four-stranded DNA junction when placed in direct competition against a classic hydrogen bond. As a result, this bromine interaction is estimated to be approximately 2-5 kcal/mol stronger than the analogous hydrogen bond in this environment, depending on the geometry of the halogen bond. This study helps to establish halogen bonding as a potential tool for the rational design and construction of molecular materials with DNA and other biological macromolecules.

PubMed: 17379665
DOI: 10.1073/pnas.0610531104

Experimental method

X-RAY DIFFRACTION (1.9 Å)