2024-06-08_00000061|hard|8P6B

Ruthenium complex bound to an antiparallel G-quadruplex; X-ray diffraction 2.50Å

DNA #1 21 bases

Raw Sequence ...

(DG)(DG)(DG)(DT)(DT)(DT)(DG)(DG)(DG)(DT)(DT)(DA)(DG)(DG)(DG)(DT)(DT)(DA)(DG)(DG)(DG)

Canonical Sequence ...

GGGTTTGGGTTAGGGTTAGGG

Non polymer #2 0K8

InChI=1S/C26H12N4O2.2C12H8N2.Ru/c31-25-13-5-1-2-6-14(13)26(32)19-15(25)9-10-18-24(19)30-23-17-8-4-12-28-21(17)20-16(22(23)29-18)7-3-11-27-20;21-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h1-12H;21-8H;/q;;;+2

InChI=1S/C26H12N4O2.2C12H8N2.Ru/c31-25-13-5-1-2-6-14(13)26(32)19-15(25)9-10-18-24(19)30-23-17-8-4-12-28-21(17)20-16(22(23)29-18)7-3-11-27-20;2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h1-12H;2*1-8H;/q;;;+2

SMILES: c1ccc2c(c1)C(=O)c3ccc4c(c3C2=O)nc5c6c7c8c(c5n4)C=CC=[N]8[Ru+2]91([N]7=CC=C6)([N]2=CC=Cc3c2c2c(cc3)C=CC=[N]92)[N]2=CC=Cc3c2c2c(cc3)C=CC=[N]12

c1ccc2c(c1)C(=O)c3ccc4c(c3C2=O)nc5c6c7c8c(c5n4)C=CC=[N]8[Ru+2]91([N]7=CC=C6)([N]2=CC=Cc3c2c2c(cc3)C=CC=[N]92)[N]2=CC=Cc3c2c2c(cc3)C=CC=[N]12

Non polymer #3 K

InChI=1S/K/q+1

SMILES: [K+]

[K+]

Biounit #1 monomer

Reference