BIG: (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(butylsulfanyl)methyl]pyrrolidin-3-ol
BIG is a Ligand Of Interest in 5TC5 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 |
|---|
| 5TC5_BIG_A_301 | 68% | 19% | 0.131 | 0.943 | 1.36 | 2.08 | 5 | 6 | 0 | 0 | 100% | 1 |
| 5TC5_BIG_C_301 | 66% | 23% | 0.148 | 0.954 | 1.02 | 2.13 | 2 | 7 | 0 | 0 | 100% | 1 |
| 5TC5_BIG_B_301 | 59% | 17% | 0.157 | 0.94 | 1.38 | 2.23 | 3 | 6 | 0 | 0 | 100% | 1 |
| 4FFS_BIG_A_301 | 95% | 22% | 0.066 | 0.97 | 1.07 | 2.13 | 1 | 7 | 1 | 0 | 100% | 1 |
| 6AYR_BIG_B_301 | 91% | 23% | 0.079 | 0.967 | 1.01 | 2.16 | 1 | 7 | 0 | 0 | 100% | 1 |
| 4F3C_BIG_A_301 | 89% | 32% | 0.099 | 0.978 | 0.88 | 1.78 | 1 | 5 | 0 | 0 | 100% | 1 |
| 3DP9_BIG_A_301 | 86% | 31% | 0.096 | 0.965 | 0.76 | 1.97 | - | 5 | 1 | 0 | 100% | 1 |
| 4WKC_BIG_A_301 | 85% | 38% | 0.096 | 0.962 | 0.89 | 1.52 | 1 | 4 | 1 | 0 | 100% | 1 |
