J55: 1-(2-{(2S)-2-[(6-bromopyridin-2-yl)carbamoyl]-1,3-thiazolidin-3-yl}-2-oxoethyl)-1H-pyrazolo[3,4-b]pyridine-3-carboxamide
J55 is a Ligand Of Interest in 5TCA 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 |
|---|
| 5TCA_J55_A_500 | 63% | 50% | 0.17 | 0.967 | 1.11 | 0.84 | 3 | 2 | 1 | 0 | 100% | 1 |
| 5TCA_J55_C_301 | 61% | 53% | 0.178 | 0.97 | 1.08 | 0.76 | 3 | 1 | 0 | 0 | 100% | 1 |
| 5TCA_J55_B_500 | 61% | 50% | 0.181 | 0.972 | 1.1 | 0.84 | 3 | 2 | 0 | 0 | 100% | 1 |
| 5TCA_J55_F_500 | 61% | 47% | 0.178 | 0.967 | 1.15 | 0.92 | 3 | 3 | 0 | 0 | 100% | 1 |
| 5TCA_J55_D_301 | 60% | 52% | 0.171 | 0.957 | 1.04 | 0.81 | 3 | 1 | 0 | 0 | 100% | 1 |
| 5TCA_J55_G_500 | 57% | 49% | 0.201 | 0.978 | 1.02 | 0.97 | 3 | 3 | 0 | 0 | 100% | 1 |
| 5TCA_J55_C_302 | 40% | 43% | 0.213 | 0.926 | 1.19 | 1.07 | 2 | 3 | 0 | 0 | 100% | 1 |
| 5TCA_J55_E_500 | 33% | 53% | 0.273 | 0.955 | 0.94 | 0.89 | 2 | 2 | 0 | 0 | 100% | 1 |
| 5TCA_J55_D_302 | 33% | 41% | 0.238 | 0.916 | 1.15 | 1.19 | 3 | 3 | 4 | 0 | 100% | 1 |
