Table 3.
EF-hand angles of S100 proteins based on the VGM method
| EF-hand | N-terminal coordinate of second helix | θ (deg.) | φ (deg) |
|---|---|---|---|
| Pseudo-EF-hand | |||
| S100A1-Ca2+-TRTK1213 | (8.659, 2.341, −5.416) | 53 ± 2 | 80 ± 3 |
| S100A1-Ca2+-RyRP1214 | (9.236, −1.916, −5.779) | 45 ± 2 | 84 ± 5 |
| Ca2+-S100A115 | (9.237, −2.133, −4.516) | 51 ± 2 | 82 ± 2 |
| Ca2+-S100B-TRTK1216 | (0.927, −0.838, −7.262) | 55 ± 2 | 95 ± 3 |
| Ca2+-S100B17 | (11.199, −3.856, −6.578) | 53± 4 | 79 ± 5 |
| Apo-S100A118 | (11.843, −4.311, −5.724) | 68 ± 4 | 85 ± 9 |
| Typical EF-hand | |||
| S100A1-Ca2+-TRTK12a | (9.191, 2.880, −4.310) | 60 ± 2 | 115 ± 5 |
| S100A1-Ca2+-RyRP12b | (9.919, 1.444, 5.583) | 45 ± 2 | 83 ± 2 |
| Ca2+-S100A1c | (8.928, −2.392, −3.789) | 58 ± 2 | 108 ± 3 |
| Ca2+-S100B-TRTK12d | (9.070, −1.009, −5.863) | 70 ± 4 | 112 ± 3 |
| Ca2+-S100Be | (9.073, −2.602, −6.819) | 76 ± 5 | 95 ± 7 |
| Apo-S100A1f | (5.246, 13.667, −0.067) | 35 ± 2 | −90 ± 7 |
13
Vector geometry mapping results were obtained using the program VGM as described 54. Apo-calmodulin of Zhang et al. (PDB code 1DMO) was used as the reference for these calculations as previously described 56.
14
Taken from the NMR structure (PDB code 2J2K) 17.
15
Taken from the NMR structure (PDB code 1ZFS) 5.
16
Taken from the NMR structure (PDB code 1MWN) 15.
17
Taken from the NMR structure (PDB code 1QLK) 4.
18
Taken from the NMR structure (PDB code 1K2H) 55.