2025-05-31_00000225|hard|9IWF

crystal structure of P. beijingensis xanthine-II riboswitch in complex with xanthine; X-ray diffraction 2.06Å

RNA #1 69 bases

Raw Sequence ...

GGUGUAUAAGCUCAUUAAUACGGUUUGAGCGUUUCGACCAGGCAACCCUAAAUUGCCCCAGGCUACAUC

Canonical Sequence ...

GGUGUAUAAGCUCAUUAAUACGGUUUGAGCGUUUCGACCAGGCAACCCUAAAUUGCCCCAGGCUACAUC

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 MG

InChI=1S/Mg/q+2

SMILES: [Mg+2]

[Mg+2]

Non polymer #4 XAN

InChI=1S/C5H4N4O2/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11)

SMILES: c1[nH]c2c(n1)C(=O)NC(=O)N2

c1[nH]c2c(n1)C(=O)NC(=O)N2

Biounit #1 monomer

Biounit #2 monomer

Reference