Table 2 Structural statistics for CUG-BP2 RRM3/5′-UUUAA-3′ complex
NMR distance and dihedral constraints | |
Distance constraints | 2452 |
RRM3 total NOE | 2325 |
Intra-residue | 473 |
Inter-residue | 1852 |
Sequential (|i-j| = 1) | 654 |
Medium range (1 < |i-j| < 5) | 462 |
Long range (|i-j| > = 5) | 736 |
Hydrogen bondsa | 22 |
UUUAA total NOE | 56 |
Intra-residue | 34 |
Inter-residue | 22 |
Sequential (|i-j| = 1) | 22 |
Medium range (1 < |i-j| < 5) | 0 |
Long range (|i-j| > = 5) | 0 |
Hydrogen bondsa | 0 |
Complex intermolecular | 49 |
Hydrogen bondsa | 0 |
Total dihedral angle restraints | 135 |
Phi | 67 |
Psi | 63 |
Sugar pucker (DELTA) | 5 |
Structure statistics b | |
Average number of distance constraint violations | |
0.1–0.2 Å | 45.0 ± 5.1 |
0.2–0.3 Å | 10.1 ± 3.1 |
0.3–0.4 Å | 1.9 ± 1.2 |
> 0.4 Å | 0.6 ± 0.6 |
Maximal distance violation (Å) | 0.41 ± 0.06 |
Average angle constraint violations | |
< 5 ° | 6.2 ± 1.0 |
> 5 ° | 0.6 ± 0.5 |
Maximal angle violation (°) | 7.02 ± 4.74 |
Mean Deviation from ideal covalent geometry | |
Bond Length (Å) | 0.0037 ± 0.0001 |
Bond angle (°) | 1.976 ± 0.014 |
Ramachandran plot statistics b,c,d | |
Residues in most favored regions (%) | 91.8 ± 1.5 |
Residues in additionally allowed regions (%) | 8.2 ± 1.5 |
Residues in generously allowed regions (%) | 0.0 ±± 0.0 |
Residues in disallowed regions (%) | 0.0 ± 0.0 |
RMSD to mean structure statistics b,c | |
RRM3 | |
Backbone atoms | 0.28 ± 0.04 |
Heavy atoms | 0.58 ± 0.05 |
UUUAA | |
Backbone atoms | 0.77 ± 0.19 |
Heavy atoms | 0.90 ± 0.17 |
Complex | |
Backbone atoms | 0.43 ± 0.06 |
Heavy atoms | 0.67 ± 0.06 |
