66I: {(2R,3S,4R,5R)-5-[4-amino-3-(difluoromethoxy)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl}methyl [(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]sulfamate (non-preferred name)
66I is a Ligand Of Interest in 7ROS designated by the Author
| 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 |
|---|
| 7ROS_66I_B_401 | 57% | 14% | 0.178 | 0.955 | 2.44 | 1.45 | 11 | 4 | 1 | 0 | 100% | 1 |
| 7ROS_66I_A_401 | 51% | 13% | 0.186 | 0.941 | 2.54 | 1.49 | 13 | 4 | 1 | 0 | 100% | 1 |
| 7ROT_66I_A_401 | 66% | 17% | 0.155 | 0.961 | 2.24 | 1.37 | 11 | 5 | 0 | 0 | 100% | 1 |
| 7ROU_66I_A_401 | 82% | 21% | 0.12 | 0.975 | 1.93 | 1.38 | 9 | 7 | 0 | 0 | 100% | 1 |
