Table 2.
Δχ-tensor parameters for lanthanide ions in complex with L3-FKBP12-rapamycin, L4-FKBP12-rapamycin, L3-GB1, L4-GB1, L4-Grb2 SH2 and L5-Grb2 SH2 determined on the basis of the crystal structure of the FKBP12-rapamycin complex (PDBID: 1fkb), GB1 (PDBID: 2rpv), Grb2 SH2 domains (PDBID: 1x0n) and the PCS values obtained from L3-FKBP12, L4-FKBP12, L3-GB1, L4-GB1, L4-Grb2 SH2 and L5-Grb2 SH2 signals
| Δχaax | Δχarh | αb | β b | γb | |
|---|---|---|---|---|---|
| L3-FKBP12 (Dy3+) | 23.1 (±1.8) | 20.2 (±1.2) | 49 | 106 | 31 |
| L3-FKBP12 (Tb3+) | 34.0 (±2.5) | 13.4 (±2.1) | 53 | 106 | 17 |
| L4-FKBP12 (Dy3+) | 23.1 (±1.6) | 19.0 (±0.7) | 33 | 77 | 38 |
| L4-FKBP12 (Tb3+) | 29.2 (±1.2) | 17.9 (±0.5) | 35 | 69 | 9 |
| L3-GB1 (Tm3+) | −18.5 (±0.9) | −18.0 (±0.4) | 66 | 148 | 149 |
| L3-GB1 (Tb3+) | 39.2 (±1.0) | 15.9 (±2.1) | 97 | 145 | 158 |
| L3-GB1 (Er3+) | −9.4 (±0.7) | −7.0 (±0.2) | 71 | 138 | 136 |
| L4-GB1 (Tm3+) | −23.6 (±1.2) | −20.0 (±0.7) | 85 | 127 | 160 |
| L4-GB1 (Tb3+) | 41.8 (±2.3) | 20.4 (±0.6) | 94 | 125 | 153 |
| L4-GB1 (Er3+) | −9.3 (±0.8) | −8.4 (±0.4) | 74 | 115 | 145 |
| L4-Grb2 SH2 (Dy3+)c | 22.7 (±1.3) | 17.6 (±0.7) | 106 | 57 | 53 |
| L4-Grb2 SH2 (Tb3+)c | 29.2 (±1.7) | 16.9 (±0.5) | 97 | 52 | 34 |
| L4-Grb2 SH2 (Tm3+)c | −17.5 (±1.6) | −17.1 (±0.5) | 99 | 65 | 27 |
| L5-Grb2 SH2 (Dy3+) | 25.1 (±2.2) | 21.0 (±1.2) | 113 | 41 | 51 |
| L5-Grb2 SH2 (Tb3+) | 30.2 (±2.6) | 21.1 (±1.0) | 100 | 42 | 37 |
| L5-Grb2 SH2 (Tm3+) | −19.0 (±1.7) | −19.1 (±1.0) | 97 | 45 | 34 |
Δχ-tensor parameters were determined relative to the conformer 1 of the family of NMR structures of FKBP12-rapamycin complex (1fkb.pdb), GB1 (2rpv.pdb) and Grb2 SH2 (1x0n.pdb). Metal ion coordinates were x = 19.155 (±0.340), y = −17.082 (±0.199), z = 13.38 (±0.314) for L3-FKBP12, x = 15.782 (±0.258), y = −19.799 (±0.108), z = 10.386 (±0.263) for L4-FKBP12, x = −3.78 (±0.413), y = −2.12 (±0.548), z = −10.078 (±0.396) for L3-GB1, x = −1.036 (±0.224), y = −3.8 (±0.323), z = −12.954 (±0.219) for L4-GB1, x = −13.093 (±0.186), y = −5.491 (±0.404), z = −5.046 (±0.325) for L4-Grb2 SH2 and x = −13.270 (±0.304), y = −6.009 (±0.409), z = −5.562 (±0.515) for L5-Grb2 SH2. Deviation of the metal position was obtained by the Monte-Carlo protocol using 100 partial PCS data sets in which 30 % of the input data were randomly deleted
aΔχax and Δχrh values are in 10−32 [m3] and error estimates were obtained by the Monte-Carlo protocol using 100 partial PCS data sets in which 30 % of the input data were randomly deleted
bEuler angle rotations in ZYZ convention (degrees)
cSaio et al. (2011)