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S Thiyagarajan

Publications and source records attributed to S Thiyagarajan.

6 recordsLinked to original sources
PubMed2006

Effect of DNA structural flexibility on promoter strength--molecular dynamics studies of E. coli promoter sequences.

To study possible correlations between promoter activity and the structural flexibility of the DNA helix, we have carried out unrestrained molecular dynamics simulations of the -10 consensus region sequence and five variants forming the -10 region of various Escherichia coli promoter sequences. Analyses of the trajectories obtained from the simulations show that the consensus sequence has a pattern of two structurally flexible nucleotide steps sandwiched between two stiff steps. In the other sequences, this pattern varies in consonance with the change in the sequence. The variations in the patterns show correlation with the promoter strength.

Base Sequence↗
PubMed2005

Structure of d(TGCGCG).d(CGCGCA) in two crystal forms: effect of sequence and crystal packing in Z-DNA.

The sequence d(TGCGCG).d(CGCGCA) crystallized in two crystal forms, orthorhombic and hexagonal, in the presence of cobalt hexammine chloride, a known inducer of the left-handed Z-form of DNA. The crystal structures have been solved and refined at 1.71 A resolution in space group P2(1)2(1)2(1) and 2.0 A resolution in space group P6(5). The orthorhombic structure contains one Z-DNA hexamer duplex, while the hexagonal structure contains two hexamer duplexes in the structure. Of the latter, one is situated on a crystallographic sixfold screw axis, leading to disorder. This paper reports the effects of sequence and crystal packing on the structure of Z-type DNA. The structures lend additional support to the authors' earlier conclusion that a stretch of four C.G base pairs is sufficient to nucleate and define the regular model of the left-handed helix based on the structure of d(CGCGCG)2.

Base Pairing↗
PubMed2004

Cobalt hexammine induced tautomeric shift in Z-DNA: the structure of d(CGCGCA)*d(TGCGCG) in two crystal forms.

We report here the crystal structure of the DNA hexamer duplex d(CGCGCA)*d(TGCGCG) at 1.71 A resolution. The crystals, in orthorhombic space group, were grown in the presence of cobalt hexammine, a known inducer of the left-handed Z form of DNA. The interaction of this ion with the DNA helix results in a change of the adenine base from the common amino tautomeric form to the imino tautomer. Consequently the A:T base pair is disrupted from the normal Watson-Crick base pairing to a 'wobble' like base pairing. This change is accommodated easily within the helix, and the helical parameters are those expected for Z-DNA. When the cobalt hexammine concentration is decreased slightly in the crystallization conditions, the duplex crystallizes in a different, hexagonal space group, with two hexamer duplexes in the asymmetric unit. One of these is situated on a crystallographic 6-fold screw axis, leading to disorder. The tautomeric shift is not observed in this space group. We show that the change in inter-helix interactions that lead to the two different space groups probably arise from the small decrease in ion concentration, and consequently disordered positions for the ion.

Base Pairing↗
PubMed2002

Structure of d(TGCGCA)2 at 293 K: comparison of the effects of sequence and temperature.

The crystal structure of a hexameric DNA fragment with the sequence d(TGCGCA)(2) has been solved and refined at 293 K at a resolution of 1.64 A. The molecule adopts a left-handed Z-type helical conformation which is common in alternating pyrimidine-purine sequences. The presence of A.T base pairs at the two terminals does not perturb the structure to any great degree. However, several sequence-specific microstructural changes are noticeable. The structure of the identical sequence determined at 120 K involving somewhat different crystallization conditions has been reported previously [Harper et al. (1998), Acta Cryst. D54, 1273-1284]. A comparison of the present structure with that at low temperature and with that of d(CGCGCG)(2) shows that the effect of the change in sequence is greater than the combined effect of changes in temperature and environment.

Base Pairing↗