Table 2. Root-Mean-Square Fluctuations (angstroms) for Carbon Atoms in the Catalytic Base Side Chaina.
| enzyme | Cα | Cβ | Cγ |
|---|---|---|---|
| WT | 0.48 (0.02) | 0.52 (0.03) | 0.53 (0.03) |
| A114G | 0.51 (0.04) | 0.56 (0.04) | 0.58 (0.04) |
| P39G | 0.66 (0.10) | 0.81 (0.17) | 1.01 (0.28) |
| P39G/V40G/S42G | 0.53 (0.14) | 0.66 (0.18) | 0.92 (0.38) |
| S42G | 0.48 (0.02) | 0.52 (0.03) | 0.54 (0.04) |
| V40G/S42G | 0.51 (0.03) | 0.57 (0.04) | 0.62 (0.07) |
| enzyme | Cα | Cβ | Cγ | Cδ |
|---|---|---|---|---|
| D38E | 0.69 (0.21) | 0.87 (0.30) | 1.03 (0.54) | 1.30 (0.48) |
| D38E/A114G | 0.53 (0.10) | 0.64 (0.17) | 0.98 (0.40) | 1.28 (0.61) |
| D38E/P39G | 0.50 (0.03) | 0.63 (0.11) | 0.72 (0.17) | 0.88 (0.38) |
| D38E/P39G/V40G/S42G | 0.69 (0.06) | 0.89 (0.08) | 1.21 (0.07) | 1.66 (0.38) |
a
Results obtained by averaging over two 20 ns MD trajectories and two active sites. Standard deviations among the four data sets are shown in parentheses. Note Cδ is only present in species containing the D38E mutation.