Table 2.
Buried surface areas, average B-factors and interatomic distances for RasQ61 mutants in the non-catalytic conformation.
| Q61L Ras-GppNHp | Q61V Ras-GppNHp | Q61K Ras-GppNHp | Q61I Ras-GppNHp | |
|---|---|---|---|---|
| a Buried Surface Area | 934.87 Å2 | 926.71 Å2 | 934.35 Å2 | 936.03 Å2 |
| b Avg. B-factor (Residue 61) | 34.7 Å3 | 34.7 Å3 | 28.13 Å3 | 27.15 Å3 |
| 61 Cδ1... Tyr64 Cδ1 | 4.5 | n/a | 3.8 | 4.6 |
| 61 Cβ ... Tyr64 Cδ2 | 4.2 | 3.7 Å | 3.5 | 3.8 |
| 61 Cδ1 ... Pro34 Cβ | 4.0 | n/a | 3.6 | 3.8 |
| 61 C=O ... H-N Tyr64 | 2.9 | 2.9 | 2.8 | 2.7 |
| Tyr32 Cε2 ... Pro34 Cα | 3.8 | 3.8 | 3.8 | 3.7 |
| Tyr32 Cε2 ... Pro34 Cβ | 4.3 | 4.3 | 4.3 | 4.3 |
|
c Tyr64 Cε1 ... Pro34 Cβ Tyr64 Cε2 ... Pro34 Cβ |
3.3 | 3.3 | 4.0 | 4.0 |
| Tyr32 CZ ... Gly13 Cα | 3.9 | 3.9 | 3.9 | 3.9 |
|
d V61 Cγ1 ... H-N Glu63 I61 Cγ2 ... H-N Glu63 |
n/a | 3.9 | n/a | 3.9 |
| 61 N-H ... Wat 175 | 3.1 | 3.1 | 3.1 | 3.1 |
| Thr35 C=O...Wat 175 | 3.0 | 2.9 | 2.9 | 3.0 |
| O1G ... Wat 175 | 2.7 | 2.8 | 2.8 | 2.7 |
| Tyr32 OH ... O1G | 2.8 | 2.8 | 2.8 | 2.7 |
a
Buried surface Area was obtained using the Lee & Richards buried surface accessibility calculation in CNS.
b
The average B-factor was calculated using all atoms from each residue.
c
The closest distance was measured between Tyr64 and Pro34 and this was modulated by different orientations of the aromatic ring of Tyr64 relative to Q61.
d
Q61V and Q61I are the only mutants with carbon atoms that contact the upper portion of the switch. Distances are given in Å. A lack of interaction is indicated by ‘n/a’. Wat175 is the pre-catalytic water molecule.