Table 2.
Interactions between Aspartoacylase and the Methylphosphon-amidate Inhibitor
| distance (Å) |
|||
|---|---|---|---|
| inhibitor atom | protein atom | subunit A | subunit B |
| β-carboxyl | |||
| OD2 | NH1 R168 | 3.3 | 3.3 |
| OD1 | NH2 R168 | 2.9 | 2.7 |
| OD1 | OH Y164 | 2.9 | 2.6 |
| α-carboxyl | |||
| OG2 | ND2 N70 | 2.6 | 2.7 |
| OG2 | NH1 R71 | 3.0 | a |
| OG1 | NH2 R71 | 2.8 | 2.7 |
| OG1 | OH Y288 | 2.7 | 2.9 |
| α-amino | |||
| NH | OH Y288 | 2.8 | 2.5 |
| phosphonate | |||
| OAG | NH1 R63 | 2.8 | 3.0 |
| OAG | NH2 R63 | 3.0 | 3.4 |
| OAG | Zn | 2.5 | 2.2 |
| OAD | Zn | 2.4 | 3.0 |
| OAD | OE2 E178 | 2.9 | 3.2 |
| OAD | OE1 E178 | 3.3 | 2.9 |
a
This interaction is not present in subunit B.