Table 3.
Constrained real space rotational and translational search with an extramembrane fragment of ISP as a search model
| Maps used in searches | Angular rotation,* ° | Changes in distance relative to native, Å | Maximum c.c. (×1000) | σ above mean, n | Second-largest c.c. (×1000) | σ above mean, n |
|---|---|---|---|---|---|---|
| Native | 0.0 | 0.0 | 186.6 | 11.4 | 68.1 | 4.1 |
| UHDBT | 3.3 | 0.7 | 313.1 | 15.5 | 84.9 | 3.8 |
| Stigmatallin | 4.2 | 1.1 | 309.8 | 17.6 | 76.3 | 3.9 |
| Myxothiazol | 10.6 | 1.2 | 102.1 | 5.9 | 67.7 | 3.9 |
| MOAS† | 134.2 | 15.1 | 73.1 | 4.7 | 61.6 | 3.9 |
c.c., Linear correlation coefficient.
*
Angular rotation is defined as a rotation that brings the position of ISP in inhibitor bound forms to the native position.
†
Putative new position of ISP in MOA-stilbene-bound bc1 crystal.