TI9: 3-[(2S)-pyrrolidin-2-ylethynyl]pyridine
TI9 is a Ligand Of Interest in 4ZRU designated by the RCSB
| Best-fitted instance in this entry |
| Other instances in this entry |
| Identifier | Ranking for goodness of fit | Ranking for geometry | Real space R factor | Real space correlation coefficient | RMSZ-bond-length | RMSZ-bond-angle | Outliers of bond length | Outliers of bond angle | Atomic clashes | Stereochemical errors | Model completeness | Average occupancy |
|---|
| 4ZRU_TI9_E_301 | 93% | 22% | 0.08 | 0.975 | 1.68 | 1.71 | 3 | 5 | 1 | 0 | 100% | 1 |
| 4ZRU_TI9_C_302 | 92% | 20% | 0.08 | 0.969 | 1.64 | 1.88 | 3 | 6 | 1 | 0 | 100% | 1 |
| 4ZRU_TI9_D_302 | 88% | 18% | 0.09 | 0.966 | 1.79 | 1.9 | 3 | 5 | 0 | 0 | 100% | 1 |
| 4ZRU_TI9_A_303 | 87% | 20% | 0.097 | 0.97 | 1.82 | 1.73 | 4 | 5 | 1 | 0 | 100% | 1 |
| 4ZRU_TI9_I_303 | 82% | 22% | 0.111 | 0.967 | 1.64 | 1.8 | 3 | 5 | 3 | 0 | 100% | 1 |
| 4ZRU_TI9_J_301 | 81% | 25% | 0.119 | 0.972 | 1.62 | 1.59 | 3 | 4 | 1 | 0 | 100% | 1 |
| 4ZRU_TI9_F_303 | 72% | 24% | 0.122 | 0.946 | 1.62 | 1.67 | 3 | 6 | 0 | 0 | 100% | 1 |
| 4ZRU_TI9_H_301 | 71% | 22% | 0.128 | 0.951 | 1.62 | 1.8 | 3 | 4 | 3 | 0 | 100% | 1 |
| 4ZRU_TI9_B_302 | 68% | 23% | 0.123 | 0.936 | 1.67 | 1.68 | 3 | 4 | 2 | 0 | 100% | 1 |
| 4ZRU_TI9_G_302 | 57% | 18% | 0.162 | 0.937 | 1.62 | 2.07 | 3 | 6 | 2 | 0 | 100% | 1 |
