2025-08-23_00000072|ligand|9C73

Hybrid G-quadruplex from Tetrahymena thermophila telomeric sequence in complex with TrisQO; X-ray diffraction 1.66Å

DNA #1 25 bases

Raw Sequence ...

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

Canonical Sequence ...

GTTGGGGTTGGGGTTGGGGTTGGGG

Non polymer #2 A1AVT

InChI=1S/C27H17N3O/c31-27-26-22-14-19-8-2-5-11-29(19)16-24(22)21-13-18-7-1-4-10-28(18)17-25(21)23(26)15-20-9-3-6-12-30(20)27/h1-17H/q+2

InChI=1S/C27H17N3O/c31-27-26-22-14-19-8-2-5-11-29(19)16-24(22)21-13-18-7-1-4-10-28(18)17-25(21)23(26)15-20-9-3-6-12-30(20)27/h1-17H/q+2

SMILES: c1cc[n+]2cc3c(cc2c1)c4c[n+]5ccccc5cc4c6c3C=C7C=CC=CN7C6=O

c1cc[n+]2cc3c(cc2c1)c4c[n+]5ccccc5cc4c6c3C=C7C=CC=CN7C6=O

Non polymer #3 CA

InChI=1S/Ca/q+2

InChI=1S/Ca/q+2

SMILES: [Ca+2]

[Ca+2]

Non polymer #4 EPE

InChI=1S/C8H18N2O4S/c11-7-5-9-1-3-10(4-2-9)6-8-15(12,13)14/h11H,1-8H2,(H,12,13,14)

InChI=1S/C8H18N2O4S/c11-7-5-9-1-3-10(4-2-9)6-8-15(12,13)14/h11H,1-8H2,(H,12,13,14)

SMILES: C1CN(CCN1CCO)CCS(=O)(=O)O

C1CN(CCN1CCO)CCS(=O)(=O)O

Non polymer #5 K

InChI=1S/K/q+1

InChI=1S/K/q+1

SMILES: [K+]

[K+]

Non polymer #6 PEG

InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2

InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2

SMILES: C(COCCO)O

C(COCCO)O

Non polymer #7 PG4

InChI=1S/C8H18O5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h9-10H,1-8H2

InChI=1S/C8H18O5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h9-10H,1-8H2

SMILES: C(COCCOCCOCCO)O

C(COCCOCCOCCO)O

Biounit #1 monomer

Reference