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X-ray (1.45 Å)
Crystal structure of z-DNA with untypically coordinated ca2+ ion
Luo Z, Dauter Z (2018): "The crystal structure of Z-DNA with untypically coordinated Ca." J. Biol. Inorg. Chem., 23, 253-259. doi: 10.1007/s00775-017-1526-4.
DNA oligomer duplexes with alternating cytosines and guanines in their sequence tend to form helices of the Z-DNA type, where the sugar and phosphate backbone forms a left-handed helix in a zigzag fashion with a repeat of two successive Watson-Crick pairs of nucleotides. Z-DNA duplexes often crystallize in complexes with diverse metal ions interacting with polar DNA atoms in various ways. This work describes the high-resolution crystal structure of a Z-DNA d(CGCGCG)2 duplex in complex with Ca2+ ions, unusually coordinated as an approximate pentagonal bipyramid by two neighboring guanines through their O6 and N7 atoms and a water molecule in the equatorial plane and a phosphate oxygen atom and another water molecule in the apical positions.

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