JQ1: (6S)-6-(2-tert-butoxy-2-oxoethyl)-4-(4-chlorophenyl)-2,3,9-trimethyl-6,7-dihydrothieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-10-ium
JQ1 is a Ligand Of Interest in 4QZS 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) |
| Best-fitted instance in this entry |
| Best-fitted PDB instances with different 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 |
|---|
| 4QZS_JQ1_A_201 | 98% | 12% | 0.066 | 0.987 | 2.15 | 1.92 | 8 | 6 | 1 | 0 | 100% | 1 |
| 3MXF_JQ1_A_1 | 86% | 20% | 0.096 | 0.966 | 1.95 | 1.42 | 5 | 3 | 1 | 0 | 100% | 1 |
| 3S92_JQ1_A_1 | 98% | 23% | 0.06 | 0.981 | 1.77 | 1.39 | 4 | 4 | 1 | 0 | 100% | 1 |
| 3S91_JQ1_A_1 | 92% | 7% | 0.083 | 0.972 | 2.61 | 2.21 | 9 | 7 | 1 | 0 | 100% | 1 |
| 3ONI_JQ1_A_1 | 86% | 23% | 0.087 | 0.957 | 1.78 | 1.38 | 5 | 3 | 1 | 0 | 100% | 1 |
| 4FLP_JQ1_A_201 | 82% | 10% | 0.114 | 0.971 | 1.96 | 2.32 | 6 | 9 | 3 | 0 | 100% | 1 |
