Pol β/DNA/8-oxoG complexes | Transition states | Order parametersa | τb (ps) | ΔEAB vs ΔEBAc | Rate constantsd |
---|---|---|---|---|---|
Binding dA TP | Thumb closing |
RMSD of α-helix N (4.5 Å to 2.5 Å) | 60 |
13 4 |
32000 2.6 × 108 |
Asp192 flip |
C-Cα-Cβ-Cγ (80° to 150°) | 9.6 |
6 7 |
3.0 × 108 9.5 × 107 | |
Arg258 rotation |
Cβ-Cγ-Cδ-Nε (100° to 150°) | 5.2 |
10 16 |
2.4 × 107 1.6 × 105 | |
Phe272 flip |
Cα-Cβ-Cγ-Cδ1 (-70° to 40°) | 4.0 |
3 8 |
4.6 × 104 8 × 108 | |
Nucleotidyl transfer | 0.2 | 9.4 | |||
Binding dC TP | Thumb closing |
RMSD of α-helix N (4.5 Å to 2.5 Å) | 55 |
15 5 |
7200 9.6 × 107 |
Arg258 half-rotation |
Cβ-Cγ-Cδ-Nε (-95° to -150°) | 3 |
5 7 |
2.2 × 109 3.0 × 108 | |
Arg258 full-rotation |
Cγ-Cδ-Nε-Cζ (100° to 150°) | 7.9 |
7 10 |
4.2 × 107 3.8 × 106 | |
Phe272 flip |
Cα-Cβ-Cγ-Cδ1 (-70° to -150°) | 6.0 |
4 7 |
1.2 × 1010 1.5 × 108 | |
Nucleotidyl transfer | 0.2 | 9.4 |