3AE: 4-(trifluoromethyl)benzoic acid
3AE is a Ligand Of Interest in 4TYA 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 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 |
4TYA_3AE_D_601 | 51% | 49% | 0.177 | 0.933 | 0.67 | 1.28 | - | 3 | 0 | 0 | 100% | 1 |
4TYA_3AE_A_601 | 49% | 49% | 0.195 | 0.941 | 0.75 | 1.19 | - | 3 | 0 | 0 | 100% | 1 |
4TYA_3AE_B_601 | 31% | 47% | 0.238 | 0.909 | 0.73 | 1.29 | - | 2 | 0 | 0 | 100% | 1 |
4TYA_3AE_C_601 | 28% | 45% | 0.258 | 0.913 | 0.58 | 1.52 | - | 5 | 0 | 0 | 100% | 1 |
6SPM_3AE_A_401 | 93% | 51% | 0.066 | 0.96 | 1.11 | 0.81 | 2 | 2 | 0 | 0 | 100% | 1 |