954: 5-{(2E,4aR,7aR)-6-[5-fluoro-4-methyl-6-(methylsulfanyl)pyrimidin-2-yl]-2-imino-3-methyl-4-oxooctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl}thiophene-2-carbonitrile
954 is a Ligand Of Interest in 5HDZ 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 |
|---|
| 5HDZ_954_B_501 | 62% | 50% | 0.117 | 0.908 | 0.9 | 1.03 | 2 | 1 | 0 | 0 | 100% | 1 |
| 5HDZ_954_A_501 | 62% | 32% | 0.121 | 0.912 | 1.01 | 1.79 | 2 | 6 | 0 | 0 | 100% | 1 |
