Table 1.
Distance (Å) | ES | TS1 | TI1 | TS1′ | EA1 |
---|---|---|---|---|---|
OG (S203) – C (ACh) | 2.59 ± 0.04 | 1.82 ± 0.07 | 1.58 ± 0.05 | 1.47 ± 0.05 | 1.34 ± 0.03 |
HG (S203) – OG(S203) | 1.00 ± 0.02 | 1.37 ± 0.07 | 1.63 ± 0.05 | 2.00 ± 0.09 | 2.78 ± 0.09 |
HG (S203) – NE2(H447) | 1.74 ± 0.09 | 1.17 ± 0.05 | 1.07 ± 0.03 | 1.04 ± 0.03 | 1.74 ± 0.11 |
HG (S203) – OS(ACh) | 3.01 ± 0.18 | 2.84 ± 0.18 | 2.77 ± 0.20 | 1.99 ± 0.10 | 1.01 ± 0.03 |
C (ACh) – OS (ACh) | 1.35 ± 0.03 | 1.44 ± 0.04 | 1.51 ± 0.05 | 1.70 ± 0.10 | 2.83 ± 0.09 |
ND1 (H447) – OE1(E334) | 2.65 ± 0.08 | 2.61 ± 0.08 | 2.57 ± 0.07 | 2.63 ± 0.08 | 2.74 ± 0.10 |
N (G121) – O(ACh) | 2.86 ± 0.12 | 2.83 ± 0.09 | 2.83 ± 0.09 | 2.87 ± 0.10 | 2.90 ± 0.11 |
N (G122) – O(ACh) | 2.82 ± 0.10 | 2.90 ± 0.11 | 2.91 ± 1.00 | 2.89 ± 0.11 | 2.91 ± 0.10 |
N (A204) – O(ACh) | 3.24 ± 0.22 | 2.93 ± 0.11 | 2.85 ± 0.09 | 2.90 ± 0.10 | 2.89 ± 0.10 |
∠ NE2 (H447) – HG (S203) – OS (ACh) degree | 105.4 ± 6.1 | 126.8 ± 5.4 | 132.6 ± 5.8 | 151.6 ± 7.9 | 167.2 ± 6.2 |