PWS: 3-methyl-2-(methylsulfanyl)-6-(trifluoromethyl)pyrimidin-4(3H)-one
PWS is a Ligand Of Interest in 5QTS designated by the RCSB
| Best-fitted instance in this entry |
| Other instances in this entry |
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 |
5QTS_PWS_A_304 | 50% | 14% | 0.124 | 0.874 | 1.54 | 2.3 | 3 | 4 | 0 | 0 | 100% | 0.74 |
5QTS_PWS_C_304 | 37% | 20% | 0.161 | 0.859 | 1.1 | 2.24 | 1 | 4 | 0 | 0 | 100% | 0.74 |
5QTS_PWS_A_308 | 24% | 18% | 0.19 | 0.819 | 1.29 | 2.24 | 2 | 4 | 0 | 0 | 100% | 0.74 |
5QTS_PWS_D_501 | 20% | 13% | 0.185 | 0.783 | 1.8 | 2.18 | 4 | 4 | 0 | 0 | 100% | 0.74 |