Table 2.
Intramolecular interactions of ALG-2 in Ca2+/EF3-driven arginine switching loop
| WT | ΔGF122 | |||
|---|---|---|---|---|
| interacting atom | MF a | Ca b | Ca c | |
| S120 | ||||
| Hydrogen | Distance (Å) | |||
| N | OK116 | 2.8 | 3.2 | 3.1 |
| O | NG123/121 | 2.8 | 2.8 | NDd |
| NH2R125/123 | ND | 2.8 | ND | |
| OG | OL116 | 2.6 | ND | ND |
| Y124/122 | ||||
| hydrogen | ||||
| N | OL119 | 3.1 | 3.0 | 3.0 |
| OH | NE2Q159/157 | ND | ND | 2.8 |
| hydrophobic | ||||
| CB | CL119 | ND | 3.9 | ND |
| CD1L126/124 | 3.9 | 3.7 | 3.9 | |
| CGL126/124 | ND | ND | 3.7 | |
| CD1 | CBF122/- | 3.7 | 3.6 | -e |
| CD1L158/156 | ND | ND | 4.0 | |
| CD2 | CD2L158/156 | 3.9 | ND | ND |
| CE1 | CBF122/- | 3.8 | 3.8 | - |
| CD1F122/- | 3.9 | ND | - | |
| CD2L158/156 | 3.9 | ND | ND | |
| CE2 | CGL158/156 | 3.5 | ND | ND |
| CD2L158/156 | 3.7 | 3.8 | ND | |
| CZ | CD1L158/156 | ND | 4.0 | ND |
a Metal-free form of des3-20ALG-2
b Ca2+-bound form of des3-20ALG-2
c Ca2+-bound form of des3-23ALG-2ΔGF122
d Not detected in the range of 2.6-3.2 Å for hydrogen bonding and 3.2-4.0 Å for hydrophobic interaction
e Not present in des3-23 ALG-2ΔGF122