1D90

REFINED CRYSTAL STRUCTURE OF AN OCTANUCLEOTIDE DUPLEX WITH I.T MISMATCHED BASE PAIRS

Summary for 1D90

• Entry DOI: 10.2210/pdb1d90/pdb
• Descriptor: DNA (5'-D(*GP*GP*IP*GP*CP*TP*CP*C)-3') (2 entities in total)
• Functional Keywords: a-dna, double helix, modified, mismatched, dna
• Total number of polymer chains: 2
• Total formula weight: 4857.18

Authors

Cruse, W.B.T.,Aymani, J.,Kennard, O.,Brown, T.,Jack, A.G.C.,Leonard, G.A. (deposition date: 1992-10-17, release date: 1993-07-15, Last modification date: 2024-02-07)

Primary citation

Cruse, W.B.,Aymani, J.,Kennard, O.,Brown, T.,Jack, A.G.,Leonard, G.A.
Refined crystal structure of an octanucleotide duplex with I.T. mismatched base pairs.
Nucleic Acids Res., 17:55-72, 1989

PubMed Abstract: The structure of the synthetic deoxyoctamer d(GGIGCTCC) has been determined by single crystal X-ray diffraction techniques to a resolution of 1.7A. The sequence crystallises in space group P6(1), with unit cell dimensions a = b = 45.07, c = 45.49A. The refinement converged with a crystallographic residual R = 0.14 and the location of 81 solvent molecules. The octamer forms an A-DNA duplex with 6 Watson-Crick (G.C) base pairs and 2 inosine-thymine (I.T) pairs. Refinement of the structure shows it to be essentially isomorphous with that reported for d(GGGGCTCC) with the mispairs adopting a "wobble" conformation. Conformational parameters and base stacking interactions are compared to those for the native duplex d(GGGGCCCC) and other similar sequences. A rationale for the apparent increased crystal packing efficiency and lattice stability of the I.T octamer is given.

PubMed: 2911488
DOI: 10.1093/nar/17.1.55

Experimental method

X-RAY DIFFRACTION (1.7 Å)