DEE: 3,5-DIMETHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
DEE is a Ligand Of Interest in 7H9B 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 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 |
7H9B_DEE_C_207 | 11% | 66% | 0.211 | 0.733 | 0.36 | 0.93 | - | - | 0 | 0 | 100% | 0.78 |
7H9B_DEE_D_206 | 10% | 78% | 0.203 | 0.71 | 0.39 | 0.51 | - | - | 0 | 0 | 100% | 0.6 |
7H9B_DEE_A_211 | 3% | 70% | 0.229 | 0.577 | 0.45 | 0.71 | - | - | 0 | 0 | 100% | 0.62 |
7H9B_DEE_B_203 | 1% | 70% | 0.406 | 0.562 | 0.41 | 0.72 | - | - | 1 | 0 | 100% | 0.24 |
1Y2B_DEE_B_501 | 37% | 57% | 0.149 | 0.845 | 1.22 | 0.47 | 1 | - | 0 | 0 | 100% | 1 |