MI1: 3-{(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}-3-oxopropanenitrile
MI1 is a Ligand Of Interest in 3FUP 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 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 |
|---|
| 3FUP_MI1_A_1 | 59% | 7% | 0.159 | 0.943 | 2.56 | 2.35 | 3 | 9 | 2 | 0 | 100% | 1 |
| 3FUP_MI1_B_1 | 53% | 5% | 0.175 | 0.937 | 2.28 | 2.99 | 3 | 11 | 2 | 0 | 100% | 1 |
| 4OTI_MI1_A_1001 | 94% | 22% | 0.067 | 0.967 | 1.02 | 2.16 | 1 | 4 | 2 | 0 | 100% | 1 |
| 3LXK_MI1_A_1125 | 78% | 39% | 0.113 | 0.955 | 1.05 | 1.34 | 1 | 3 | 0 | 0 | 100% | 1 |
| 3EYG_MI1_A_1 | 70% | 19% | 0.121 | 0.938 | 1.44 | 2.02 | 3 | 9 | 2 | 0 | 100% | 1 |
| 3LXN_MI1_A_1 | 32% | 16% | 0.188 | 0.862 | 1.71 | 1.98 | 4 | 5 | 1 | 0 | 100% | 1 |
