1OSR

Structural study of dna duplex containaing a n-(2-deoxy-beta-erytho-pentofuranosyl) formamide frameshift by nmr and restrained molecular dynamics

Summary for 1OSR

• Entry DOI: 10.2210/pdb1osr/pdb
• Descriptor: 5'-D(*AP*GP*GP*AP*CP*CP*AP*CP*G)-3', 5'-D(*CP*GP*TP*GP*GP*(2DF)P*TP*CP*CP*T)-3' (2 entities in total)
• Functional Keywords: modified base, mutagenesis, deoxyribonucleic acid, dna
• Total number of polymer chains: 2
• Total formula weight: 5695.73

Authors

Maufrais, C.,Fazakerley, G.V.,Cadet, J.,Boulard, Y. (deposition date: 2003-03-20, release date: 2003-10-14, Last modification date: 2024-05-22)

Primary citation

Maufrais, C.,Fazakerley, G.V.,Cadet, J.,Boulard, Y.
Structural study of DNA duplex containing an N-(2-deoxy-beta-D-erythro-pentofuranosyl) formamide frameshift by NMR and restrained molecular dynamics.
Nucleic Acids Res., 31:5930-5940, 2003

PubMed Abstract: The presence of an N-(2-deoxy-beta-D-erythro-pentofuranosyl) formamide (F) residue, a ring fragmentation product of thymine, in a frameshift context in the sequence 5'-d-(AGGACCACG)*d(CGTGGFTCCT) has been studied by 1H and 31P nuclear magnetic resonance (NMR) and molecular dynamics. Two-dimensional NMR studies show that the formamide residue, whether the cis or trans isomer, is rotated out of the helix and that the bases on either side of the formamide residue in the sequence, G14 and T16, are stacked over each other in a way similar to normal B-DNA. The cis and trans isomers were observed in the ratio 3:2 in solution. Information extracted from 31P NMR data reveal a modification of the phosphodiester backbone conformation at the extrahelical site, which is also observed during the molecular dynamics simulations.

PubMed: 14530441
DOI: 10.1093/nar/gkg803

Experimental method

SOLUTION NMR