2026-01-10_00000211|hard|9HRG

Crystal structure of the Class V (G61A) GTP aptamer variant in complex with GTP; X-ray diffraction 2.05Å

RNA #1 68 bases

Raw Sequence ...

GGGCGCAUUUUGGUAGGUCGGUCGCUGCUUCGGCAGUGAGGGGUAGGCAUUGCUGGCCUAAGGUGCCC

Canonical Sequence ...

GGGCGCAUUUUGGUAGGUCGGUCGCUGCUUCGGCAGUGAGGGGUAGGCAUUGCUGGCCUAAGGUGCCC

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]

Biounit #1 homo-dimer

Biounit #2 homo-dimer

Reference