S2N: S-[2-({N-[(2R)-2-hydroxy-4-{[(S)-hydroxy(methoxy)phosphoryl]oxy}-3,3-dimethylbutanoyl]-beta-alanyl}amino)ethyl] (3R)-3-hydroxydodecanethioate
S2N is a Ligand Of Interest in 3I3A 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 |
|---|
| 3I3A_S2N_C_260 | 39% | 48% | 0.187 | 0.892 | 0.88 | 1.15 | 2 | 3 | 2 | 0 | 100% | 0.7973 |
| 3I3A_S2N_A_260 | 20% | 45% | 0.248 | 0.849 | 0.75 | 1.38 | 1 | 3 | 3 | 0 | 100% | 0.7568 |
| 3I3A_S2N_B_260 | 14% | 53% | 0.246 | 0.799 | 0.74 | 1.09 | 1 | 3 | 4 | 0 | 100% | 0.7432 |
