53I: (2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1R)-1-(2-methylprop-1-en-1-yl)phthalazin-2(1H)-y
l]prop-2-en-1-one
53I is a Ligand Of Interest in 4ELH 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 |
|---|
| 4ELH_53I_G_201 | 71% | 6% | 0.119 | 0.94 | 2.98 | 2.18 | 13 | 17 | 0 | 0 | 100% | 1 |
| 4ELH_53I_H_201 | 63% | 6% | 0.137 | 0.932 | 2.93 | 2.25 | 11 | 16 | 5 | 0 | 100% | 1 |
| 4ELH_53I_F_201 | 62% | 6% | 0.131 | 0.922 | 2.98 | 2.17 | 12 | 16 | 4 | 0 | 100% | 1 |
| 4ELH_53I_E_201 | 56% | 7% | 0.143 | 0.915 | 2.93 | 2.14 | 12 | 17 | 1 | 0 | 100% | 1 |
| 4ELH_53I_B_202 | 51% | 6% | 0.136 | 0.889 | 3.15 | 2.22 | 13 | 15 | 0 | 0 | 100% | 1 |
| 4ELH_53I_A_202 | 39% | 6% | 0.182 | 0.89 | 2.99 | 2.21 | 12 | 16 | 6 | 0 | 100% | 1 |
| 4ELH_53I_C_202 | 39% | 6% | 0.182 | 0.89 | 3.14 | 2.07 | 13 | 15 | 2 | 0 | 100% | 1 |
| 4ELH_53I_D_201 | 35% | 7% | 0.177 | 0.863 | 3.02 | 1.93 | 13 | 15 | 6 | 0 | 100% | 0.49 |
