Table 1.
Structural Refinement Statistics of Unbound and Bound WT Tau Duplexes
unbound RNA | 4-bound RNA | 5-bound RNA | 9-bound RNA | |
---|---|---|---|---|
no. of restraints | ||||
all distance restraints, including hydrogen bonds | 191 | 182 | 258 | 173 |
all NOE restraints | 150 | 141 | 221 | 146 |
intraresidue | 69 | 68 | 121 | 75 |
sequential residues | 79 | 62 | 79 | 57 |
long range RNA (excluding 4–, 5–, or 9–RNA) | 2 | 2 | 2 | 2 |
intramolecular 4, 5, or 9 | N/A | 2 | 6 | 1 |
intermolecular 4–, 5–, or 9–RNA | N/A | 7 | 13 | 11 |
hydrogen bonds | 41 | 41 | 37 | 27 |
dihedral | 0 | 0 | 0 | 105 |
RMSD of experimental restraints | ||||
distance (Å) | 3.8 × 10−3 | 2.8 × 10−3 | 4.2 × 10−3 | 2.1 × 10−3 |
dihedral (deg) | N/A | N/A | N/A | 2.1 × 10−3 |
RMSD of structures for heavy atoms (Å) | ||||
all residues, excluding 4, 5, or 9 | 1.79 ± 0.31 | 1.92 ± 0.49 | 1.11 ± 0.25 | 1.37 ± 0.36 |
all residues and 4, 5, or 9 | N/A | 1.91 ± 0.47 | 1.12 ± 0.25 | 1.41 ± 0.34 |
outer helices (residues 1–3, 9–14, and 19–21) | 2.01 ± 0.40 | 1.92 ± 0.61 | 1.02 ± 0.31 | 1.40 ± 0.47 |
4, 5, or 9 | N/A | 1.06 ± 0.38 | 0.50 ± 0.33 | 1.08 ± 0.60 |
Bulge loop and inner base pairs, including 4, 5, or 9 for bound structure (residues 4–8 and 15–18) | 0.84 ± 0.19 | 1.53 ± 0.37 | 0.85 ± 0.17 | 1.14 ± 0.34 |
Bulge loop and closing pairs, including 4, 5, or 9 for bound structure (residues 5–7 and 16–17) | 0.63 ± 0.19 | 1.43 ± 0.39 | 0.97 ± 0.22 | 1.23 ± 0.40 |