AEE: 6-{4-[(4-ETHYLPIPERAZIN-1-YL)METHYL]PHENYL}-N-[(1R)-1-PHENYLETHYL]-7H-PYRROLO[2,3-D]PYRIMIDIN-4-AMINE
AEE is a Ligand Of Interest in 2ITT 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 same 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 |
|---|
| 2ITT_AEE_A_2020 | 23% | 22% | 0.242 | 0.867 | 1.43 | 1.78 | 4 | 8 | 3 | 0 | 100% | 1 |
| 2J6M_AEE_A_2021 | 33% | 30% | 0.211 | 0.888 | 1.35 | 1.46 | 4 | 5 | 8 | 0 | 100% | 1 |
| 2ITP_AEE_A_2019 | 28% | 20% | 0.226 | 0.878 | 1.32 | 2.06 | 2 | 12 | 1 | 0 | 100% | 1 |
| 2JIU_AEE_A_2017 | 15% | 33% | 0.27 | 0.836 | 1.17 | 1.48 | 2 | 4 | 1 | 0 | 100% | 1 |
