JT1: (2R)-4-(5-cyclopropyl[1,3]thiazolo[4,5-d]pyrimidin-2-yl)-N-[3-fluoro-4-(trifluoromethoxy)benzyl]-1-{[4-(trifluoromethyl)phenyl]sulfonyl}piperazine-2-carboxamide
JT1 is a Ligand Of Interest in 3VQS 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 |
|---|
| 3VQS_JT1_A_1000 | 91% | 17% | 0.094 | 0.982 | 1.93 | 1.82 | 9 | 18 | 1 | 0 | 100% | 1 |
| 3VQS_JT1_D_1000 | 88% | 20% | 0.102 | 0.979 | 1.72 | 1.8 | 8 | 14 | 0 | 0 | 100% | 0.97 |
| 3VQS_JT1_B_601 | 84% | 13% | 0.106 | 0.969 | 2.2 | 1.99 | 14 | 13 | 0 | 0 | 100% | 0.97 |
| 3VQS_JT1_C_601 | 82% | 16% | 0.111 | 0.968 | 2.1 | 1.78 | 11 | 15 | 0 | 0 | 100% | 0.96 |
