JBJ: (2R)-2-(5-fluoro-2-hydroxyphenyl)-2-{1-oxo-6-[4-(piperazin-1-yl)phenyl]-1,3-dihydro-2H-isoindol-2-yl}-N-(1,3-thiazol-2-yl)acetamide
JBJ is a Ligand Of Interest in 6DUK designated by the RCSB
| Best-fitted instance in this entry |
| Other instances in this entry |
| Best-fitted instance in this entry |
| Best-fitted PDB instances with same target (top 5) |
| 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 |
|---|
| 6DUK_JBJ_A_1103 | 86% | 4% | 0.101 | 0.969 | 2.41 | 3.26 | 9 | 8 | 0 | 0 | 100% | 1 |
| 6DUK_JBJ_D_1103 | 80% | 4% | 0.115 | 0.964 | 2.77 | 2.85 | 10 | 8 | 0 | 0 | 100% | 1 |
| 6DUK_JBJ_F_1103 | 60% | 4% | 0.141 | 0.925 | 2.69 | 3.17 | 9 | 7 | 0 | 0 | 100% | 1 |
| 6DUK_JBJ_E_1103 | 45% | 3% | 0.164 | 0.897 | 2.54 | 3.34 | 9 | 13 | 2 | 0 | 100% | 1 |
| 6DUK_JBJ_B_1103 | 29% | 4% | 0.221 | 0.881 | 2.75 | 3.07 | 10 | 11 | 0 | 0 | 100% | 1 |
| 6DUK_JBJ_C_1103 | 29% | 3% | 0.207 | 0.865 | 2.65 | 3.56 | 10 | 13 | 0 | 0 | 100% | 1 |
| 7JXP_JBJ_A_1103 | 77% | 5% | 0.136 | 0.975 | 1.9 | 3.5 | 12 | 16 | 1 | 0 | 100% | 1 |
| 7JXK_JBJ_D_1103 | 36% | 2% | 0.242 | 0.936 | 1.85 | 4.49 | 11 | 15 | 0 | 0 | 100% | 1 |
