TABLE 1.
Statistics of the 10 lowest energy structures
Number of restraints used in structure calculations | |
NOE distance | 218 |
Experimentally derived | 113 |
(residues 7–17, 28–35) | 99 |
(intranucleotide) | 36 |
(intermolecular RNA-GTP) | 14 |
Total involving exchangeable protons | 47 |
Model-derived A-form stems | |
(residues 1–6, 18–20, 25–27, 36–41) | 77 |
Model-derived UUCG tetraloop | |
(residues 21–24) | 28 |
Dihedral angle | 149 |
Dipolar couplings | 25 |
Stem hydrogen bonds | 42 |
Total no. of restraints | 434 |
Average rmsd from experimental restraints | |
Distance (no violations >0.2 Å) | 0.02 Å |
Dihedral (no violations >5°) | 0.14° |
RDC (no violations >5 Hz) | 1.6 Hz |
Average rmsd from ideal geometries | |
Bonds | 0.006 Å |
Angles | 1.21° |
Impropers | 0.74° |
Heavy atom rmsd from mean structure | |
All residues (1–41, GTP) | 3.38 ± 0.77 Å |
Recognition bulge and ligand (residues 8–16, 29–34, GTP) | 1.97 ± 0.34 Å |
Recognition bulge and ligand without | 1.47 ± 0.38 Å |
unconserved U’s (see text) (residues 8, 9, 11, 12, 14–16, 29, 31–34, GTP) Recognition bulge alone without | 1.47 ± 0.36 Å |
unconserved U’s (see text) (residues 8, 9, 11, 12, 14–16, 29, 31–34) Ligand alone (GTP) | 1.35 ± 0.37 Å |