3LLN

Comparison between the orthorhombic an tetragonal form of the heptamer sequence d(GCG(xT)GCG)/d(CGCACGC).

Summary for 3LLN

• Entry DOI: 10.2210/pdb3lln/pdb
• Related: 2H0N 2P8D 3FL6
• Descriptor: DNA (5'-D(*GP*CP*GP*(XTR)P*GP*CP*G)-3'), DNA (5'-D(*CP*GP*CP*AP*CP*GP*C)-3'), COBALT HEXAMMINE(III), ... (4 entities in total)
• Functional Keywords: double helix, cena, sugar modification, right-handed, dna
• Total number of polymer chains: 2
• Total formula weight: 4408.96

Authors

Robeyns, K.,Herdewijn, P.,Van Meervelt, L. (deposition date: 2010-01-29, release date: 2010-08-18, Last modification date: 2023-09-06)

Primary citation

Robeyns, K.,Herdewijn, P.,Van Meervelt, L.
Comparison between the orthorhombic and tetragonal forms of the heptamer sequence d[GCG(xT)GCG]/d(CGCACGC)
Acta Crystallogr.,Sect.F, 66:1028-1031, 2010

PubMed Abstract: Cyclohexene nucleic acid (CeNA) building blocks can be introduced into natural DNA sequences without a large conformational influence because of the ability of the six-membered sugar ring to mimic both the C2'-endo and C3'-endo conformations of the naturally occurring ribofuranose sugar ring. The non-self-complementary DNA sequence d[GCG(xT)GCG]/d(CGCACGC) with one incorporated CeNA (xT) moiety crystallizes in two forms: orthorhombic and tetragonal. The tetragonal form, which diffracts to 3 A resolution, is a kinetically stable polymorph of the orthorhombic form [Robeyns et al. (2010), Artificial DNA, 1, 1-7], which diffracts to 1.17 A resolution and is the thermodynamically stable form of the CeNA-incorporated duplex. Here, the two structures are compared, with special emphasis on the differences in crystal packing and the irreversible conversion of the kinetic form into the high-resolution diffracting thermodynamic form.

PubMed: 20823518
DOI: 10.1107/S1744309110031696

Experimental method

X-RAY DIFFRACTION (3 Å)