2026-11-07_00000196|ligand|9URW

Crystal structure of Ade1304 DNA aptamer (1304b9) bound to ADP; X-ray diffraction 1.52Å

DNA #1 44 bases

Raw Sequence ...

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

Canonical Sequence ...

TGTACGACACGGAGGCTTAGTTTGCTAAATGGTCATGTCGTACA

Non polymer #2 ADP

InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1

SMILES: c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N

c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N

Non polymer #3 CA

InChI=1S/Ca/q+2

SMILES: [Ca+2]

[Ca+2]

Non polymer #4 NA

InChI=1S/Na/q+1

SMILES: [Na+]

[Na+]

Biounit #1 homo-dimer

Reference