Table 1.
SVD-derived alignment tensor parameters obtained by a fit of the 1DNH RDCs to the Core region of the corresponding structural models.a
| Da (Hz) | Rh | Euler(x) | Euler(y) | Euler(z) | |
|---|---|---|---|---|---|
| PR + DMP b
3BVB |
2.92 | 0.13 | 43.8 | −20.8 | 53.6 |
| PR + DMP b
1HHP |
2.91 | 0.12 | 40.2 | −17.5 | 56.3 |
| PR + DMP b
1TW7 |
2.84 | 0.15 | 43.3 | −21.1 | 54.9 |
| PR apo c
3BVB |
2.91 | 0.11 | 41.9 | −19.1 | 52.8 |
| PR apo c
1HHP |
2.98 | 0.11 | 39.0 | −14.2 | 53.8 |
| PR apo c
1TW7 |
2.79 | 0.12 | 41.2 | −20.0 | 51.5 |
| PR20 apo d
3UF3 |
3.12 | 0.17 | 40.5 | −18.8 | 51.6 |
| PR20 apo d
3UCB |
3.01 | 0.16 | 39.6 | −14.4 | 46.3 |
a
The Core region comprises the first and last two β-sheets (residues 10-23 and 62-73) as well as the C-terminal helix (residue 87-93). The magnitude of the alignment tensor obtained for the apo-PR and PR20 data sets was scaled up according to the 2H quadrupole splitting measured for the PR + DMP323 sample (25.6 Hz, compared to 22 Hz and 19 Hz for the apo PR and PR20 respectively).
b
RDC data were collected for PR bound to DMP323
c
RDC data collected for inhibitor-free PR
d
RDC data collected for inhibitor-free PR20