2024-06-08_00000114|ligand|8T4N

DB1976 Bound to the DNA Sequence 5'-CGCGAATTCGCG-3; X-ray diffraction 1.79Å

DNA #1 12 bases

Raw Sequence ...

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

Canonical Sequence ...

CGCGAATTCGCG

Non polymer #2 Y5U

InChI=1S/C20H16N8Se/c21-17(22)9-1-3-11-13(7-9)27-19(25-11)15-5-6-16(29-15)20-26-12-4-2-10(18(23)24)8-14(12)28-20/h1-8H,(H3,21,22)(H3,23,24)(H,25,27)(H,26,28)

InChI=1S/C20H16N8Se/c21-17(22)9-1-3-11-13(7-9)27-19(25-11)15-5-6-16(29-15)20-26-12-4-2-10(18(23)24)8-14(12)28-20/h1-8H,(H3,21,22)(H3,23,24)(H,25,27)(H,26,28)

SMILES: [H]/N=C(N)/c1cc2[nH]c(nc2cc1)c3[se]c(cc3)c4nc5c([nH]4)cc(cc5)/C(=N[H])/N

[H]/N=C(N)/c1cc2[nH]c(nc2cc1)c3[se]c(cc3)c4nc5c([nH]4)cc(cc5)/C(=N[H])/N

Biounit #1 homo-dimer

Reference