JA3: 5-ethyl-4-fluoro-2-[(2-fluoropyridin-3-yl)oxy]phenol
JA3 is a Ligand Of Interest in 4D44 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 |
|---|
| 4D44_JA3_E_1258 | 97% | 57% | 0.059 | 0.976 | 0.68 | 0.93 | 1 | 2 | 0 | 0 | 100% | 1 |
| 4D44_JA3_G_1257 | 95% | 49% | 0.066 | 0.971 | 0.49 | 1.47 | - | 2 | 0 | 0 | 100% | 1 |
| 4D44_JA3_A_1259 | 94% | 61% | 0.081 | 0.979 | 0.45 | 1 | - | 2 | 0 | 0 | 100% | 1 |
| 4D44_JA3_B_1257 | 94% | 55% | 0.069 | 0.966 | 0.51 | 1.19 | - | 2 | 0 | 0 | 100% | 1 |
| 4D44_JA3_E_1257 | 91% | 50% | 0.089 | 0.978 | 0.41 | 1.49 | - | 2 | 0 | 0 | 100% | 1 |
| 4D44_JA3_G_1258 | 91% | 55% | 0.074 | 0.959 | 0.65 | 1.06 | 1 | 3 | 0 | 0 | 100% | 1 |
| 4D44_JA3_C_1257 | 91% | 59% | 0.087 | 0.972 | 0.44 | 1.09 | - | 1 | 0 | 0 | 100% | 1 |
| 4D44_JA3_C_1258 | 89% | 59% | 0.071 | 0.95 | 0.37 | 1.18 | - | 3 | 0 | 0 | 100% | 1 |
