Table 2.
NMR and refinement statistics
| RNA-risdiplam | RNA-SMNCX | RNA-SMN-CY | RNA-branaplam | |
|---|---|---|---|---|
| NMR distance and dihedral constraints | ||||
| Distance restraints | ||||
| Total NOE | 348 | 347 | 341 | 352 |
| Intra-residue | 255 | 254 | 246 | 259 |
| Inter-residue | 93 | 93 | 95 | 93 |
| Sequential (|i – j| = 1) | 87 | 87 | 89 | 87 |
| Nonsequential (|i – j| > 1) | 6 | 6 | 6 | 6 |
| Intra-ligand | 0 | 0 | 40 | 0 |
| Hydrogen bonds | 18 | 18 | 18 | 18 |
| Ligand–nucleic acid intermolecular | 20 | 22 | 17 | 18 |
| Total dihedral angle restraints | 170 | 167 | 146 | 167 |
| Structure statistics | ||||
| Violations (mean and s.d.) | ||||
| Distance constraints (0.3 Å) | 4.72 ± 0.87 | 0 | 0.20 ± 0.40 | 0 |
| Dihedral angle constraints (>5°) | 2.42 ± 1.22 | 10.60 ± 0.73 | 0 | 11.20 ± 1.12 |
| Max. dihedral angle violation (°) | 6.24 ± 0.77 | 11.44 ± 1.17 | 0.61 ± 0.26 | 10.96 ± 0.77 |
| Max. distance constraint violation (Å) | 0.34 ± 0.03 | 0.23 ± 0.01 | 0.28 ± 0.03 | 0.22 ± 0.01 |
| Deviations from idealized geometry | ||||
| Bond lengths (Å) | 0.0015 ± 0.0001 | 0.0014 ± 0.0001 | 0.0054 ± 0.0002 | 0.0014 ± 0.0001 |
| Bond angles (º) | 1.75 ± 0.01 | 1.73 ± 0.01 | 2.33 ± 0.01 | 1.76 ± 0.01 |
| Average pairwise r.m.s. deviation (Å) | ||||
| Number of models | 14 | 15 | 14 | 15 |
| All atoms | 0.54 ± 0.12 | 2.19 ± 0.49 | 2.35 ± 0.22 | 0.96 ± 0.80 |
| All heavy atoms | 0.35 ± 0.12 | 2.13 ± 0.44 | 2.30 ± 0.23 | 0.86 ± 0.81 |
| All atoms binding site* | 0.60 ± 0.13 | 0.35 ± 0.05 | 1.61 ± 0.39 | 0.56 ± 0.07 |
| All heavy binding site* | 0.38 ± 0.11 | 0.26 ± 0.07 | 1.59 ± 0.40 | 0.41 ± 0.04 |
| Data availability | ||||
| PDB ID | 8R62 | 8R8P | 8CF2 | 8R63 |
| BMRB ID | 34878 | 34885 | 34784 | 34879 |
*Pairwise r.m.s. deviation was calculated among all the refined structures on the region including nucleotides 4–10 and nucleotides –2 to +6 from the U1 snRNA and the 5′-SS and the small molecule.