Table 1.
Distances between different inhibitor atoms and protein atoms as observed in the complexes of swainsonine (PDB id 1HWW), 1 and 2 with dGMII.
| Swainsonine | 1 | 2 | |||
|---|---|---|---|---|---|
| Protein Atom | Inhibitor Atom | Distance
(Å) |
Inhibitor Atom | Distance
(Å) |
Distance
(Å) |
| H90 NE2 | O-2 | 2.97 | O-4 | 3.07 | 3.11 |
| D92 OD1 | O-1 | 3.04 | O-3 | 2.92 | 2.99 |
| D92 OD2 | O-2 | 2.54 | O-4 | 2.55 | 2.51 |
| O-1 | 2.83 | O-4 | 2.82 | 2.91 | |
| D204 OD2 | O-2 | 2.97 | O-3 | 2.92 | 2.95 |
| N-4 | 2.75 | N | 2.77 | 2.9 | |
| R228 NH2 | C-7 (cf1) | 3.11 | 5.08 | ||
| S | 4.01 | 3.54 | |||
| Y269 OH | N-4 | 4.17 | N | 2.78 | 2.96 |
| D341 OD2 | N | 2.99 | 3 | ||
| W415 CH2 | C-7 (cf2) | 3.36 | 3.17 | ||
| W415 CZ3 | C-7 (cf2) | 3.57 | 3.17 | ||
| H471 NE2 | O-1 | 3.12 | O-3 | 3.1 | 3.02 |
| D472 OD1 | O-8 | 2.56 | O-2 | 2.59 | 2.62 |
| D472 OD2 | O-1 | 2.6 | O-3 | 2.53 | 2.57 |
| Y727 OH | O-8 | 2.64 | O-2 | 2.72 | 2.68 |
| R876 O | ----- | ----- | C-7 (cf1) | 4 | 2.5 |
| S | 3.49 | 4.14 | |||
| N | 3.03 | ||||
| WATERS | C-7 (cf1) | 2.56, 2.85, 2.88 | |||