2024-06-15_00000021|hard|8HZE

A new fluorescent RNA aptamer bound with N; X-ray diffraction 1.59Å

RNA #1 35 bases

Raw Sequence ...

GAAGAUUGUAAACAUGCCGAAAGGCAGACACUUCC

Canonical Sequence ...

GAAGAUUGUAAACAUGCCGAAAGGCAGACACUUCC

Non polymer #2 GTP

InChI=1S/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1

InChI=1S/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1

SMILES: c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N

c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N

Non polymer #3 K

InChI=1S/K/q+1

SMILES: [K+]

[K+]

Non polymer #4 MG

InChI=1S/Mg/q+2

SMILES: [Mg+2]

[Mg+2]

Non polymer #5 NI4

InChI=1S/C22H23N3O2/c1-24(14-15-26)19-11-8-18(9-12-19)16-20-22(27)25(2)21(23-20)13-10-17-6-4-3-5-7-17/h3-13,16,26H,14-15H2,1-2H3/b13-10+,20-16-

SMILES: CN1C(=N/C(=Cc2ccc(cc2)N(C)CCO)/C1=O)/C=C/c3ccccc3

CN1C(=N/C(=Cc2ccc(cc2)N(C)CCO)/C1=O)/C=C/c3ccccc3

Non polymer #6 PO4

InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3

SMILES: [O-]P(=O)([O-])[O-]

[O-]P(=O)([O-])[O-]

Biounit #1 homo-dimer

Reference