Interactions of the ligand-binding core of GluR2-S1S2J/(Y702F)GluR2-S1S2J with (S)-CPW399 and KA
Potential hydrogen bonds/ionic interactions (in Å) to ligand within 3.4 Å are tabulated.
| GluR2:(S)-CPW399 | (Y702F)GluR2:(S)-CPW399 | (Y702F)GluR2:KA | ||
|---|---|---|---|---|
| MolAa | MolBa | |||
| O1b | ||||
| Ser654 N | 3.4 | 3.3 | 3.1 | 3.0 |
| Thr655 N | 3.1 | 3.1 | 3.0 | 2.9 |
| Thr655 Oγ1 | 3.2 | 3.0 | 3.3 | |
| Water 1 | 2.8 | 3.0 | 3.1 | 2.8 |
| N2 | ||||
| Thr655 Oγ1 | 2.8 | 2.7 | 2.7 | 2.5 (to O2c) |
| Water 3 | 3.2 | 3.1 (to O2c) | ||
| Water 4 | 2.7 (to O2c) | |||
| O2 | ||||
| Glu705 N | 2.9 | 2.9 | 3.0 | |
| Water 2 | 2.9 | |||
| Water 3 | 3.4 | 3.2 | ||
| N3 | ||||
| Pro478 O | 2.8 | 2.7 | 2.8 | 3.0 |
| Thr480 Oγ1 | 2.8 | 2.9 | 2.8 | 3.2 |
| Glu705 Oϵ1 | 2.8 | 2.9 | 2.7 | 2.8 |
| Glu705 Oϵ2 | 3.0 | 3.2 | 3.1 | 3.4 |
| O3 | ||||
| Arg485 Nη1 | 3.4 | 3.3 | 3.4 | |
| Arg485 Nη2 | 2.8 | 2.8 | 2.6 | 2.9 |
| Ser654 N | 2.9 | 2.9 | 3.1 | 2.9 |
| Ser654 Oγ | 2.9 | 2.9 | ||
| O4 | ||||
| Thr480 N | 2.8 | 2.8 | 2.7 | 3.0 |
| Thr480 Oγ1 | 3.3 | |||
| Arg485 Nη1 | 2.8 | 2.7 | 2.7 | 2.9 |