NOF: tert-butyl 7'-[5-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-1-chloranyl-2,3,4,5,6-pentamethyl-spiro[1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane-1,2'-3-aza-1-azonia-2$l^{8}-iridatricyclo[6.3.1.0^{4,12}]dodeca-1(11),4,6,8(12),9-pentaene]-3'-carboxylate
NOF is a Ligand Of Interest in 8AQY 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 |
|---|
| 8AQY_NOF_D_201 | 83% | 1% | 0.122 | 0.98 | 5.07 | 3.36 | 20 | 30 | 5 | 0 | 100% | 0.8609 |
| 8AQY_NOF_A_201 | 65% | 1% | 0.162 | 0.966 | 5.29 | 3.27 | 22 | 29 | 7 | 0 | 100% | 0.8761 |
| 8AQY_NOF_C_201 | 32% | 1% | 0.259 | 0.935 | 5.14 | 3.81 | 21 | 37 | 7 | 1 | 100% | 0.8609 |
| 8AQY_NOF_B_201 | 9% | 1% | 0.345 | 0.837 | 5.19 | 3.48 | 21 | 33 | 5 | 0 | 100% | 0.8609 |
| 8BY1_NOF_A_201 | 49% | 5% | 0.186 | 0.937 | 2.84 | 2.48 | 17 | 21 | 1 | 0 | 98% | 0.8587 |
| 8AQX_NOF_A_201 | 84% | 2% | 0.111 | 0.973 | 4.66 | 2.52 | 19 | 18 | 1 | 0 | 100% | 0.9478 |
| 8BY0_NOF_A_201 | 64% | 1% | 0.17 | 0.969 | 4.6 | 2.75 | 20 | 22 | 0 | 0 | 100% | 1 |
