4IR: {N-(4-{[2-(amino-kappaN)ethyl]sulfamoyl-kappaN}phenyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide}(chloro)[(1,2,3,4,5-eta)-1,2,3,4,5-pentamethylcyclopentadienyl]iridium(III)
4IR is a Ligand Of Interest in 7B74 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 |
|---|
| 7B74_4IR_CCC_201 | 74% | 4% | 0.136 | 0.971 | 3.08 | 2.71 | 9 | 20 | 0 | 0 | 98% | 0.9659 |
| 7B74_4IR_DDD_201 | 74% | 3% | 0.137 | 0.972 | 3.2 | 3.16 | 10 | 19 | 0 | 0 | 98% | 0.9659 |
| 7B74_4IR_AAA_201 | 73% | 3% | 0.137 | 0.97 | 3.12 | 3.03 | 10 | 19 | 1 | 0 | 98% | 0.9659 |
| 7B74_4IR_BBB_201 | 60% | 3% | 0.156 | 0.945 | 3.17 | 3.11 | 10 | 20 | 1 | 0 | 98% | 0.9659 |
| 6S4Q_4IR_A_401 | 73% | 4% | 0.133 | 0.961 | 1.78 | 3.69 | 4 | 22 | 3 | 0 | 100% | 0.5 |
| 6GMI_4IR_A_201 | 64% | 6% | 0.138 | 0.936 | 2.32 | 2.66 | 7 | 18 | 0 | 0 | 100% | 0.9341 |
| 3PK2_4IR_A_400 | 50% | 3% | 0.174 | 0.925 | 3.76 | 2.19 | 10 | 13 | 0 | 0 | 100% | 0.8171 |
| 6ESS_4IR_A_400 | 48% | 2% | 0.167 | 0.914 | 3.17 | 3.24 | 10 | 23 | 1 | 0 | 98% | 0.9756 |
| 6S50_4IR_A_401 | 46% | 6% | 0.171 | 0.908 | 1.89 | 3.24 | 2 | 19 | 6 | 0 | 100% | 0.6 |
