ROC: (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1
-phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide
ROC is a Ligand Of Interest in 3TL9 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 same target (top 5) |
| 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 |
|---|
| 3TL9_ROC_A_401 | 81% | 49% | 0.098 | 0.949 | 0.84 | 1.13 | 2 | 7 | 6 | 0 | 100% | 0.61 |
| 3S56_ROC_A_201 | 94% | 26% | 0.07 | 0.967 | 1.51 | 1.5 | 9 | 15 | 2 | 0 | 100% | 1 |
| 2NNP_ROC_A_401 | 91% | 31% | 0.075 | 0.96 | 1.13 | 1.59 | 5 | 14 | 0 | 0 | 100% | 1 |
| 3TKG_ROC_B_801 | 88% | 47% | 0.088 | 0.962 | 0.81 | 1.21 | 2 | 7 | 9 | 0 | 100% | 0.54 |
| 3D1X_ROC_A_201 | 85% | 46% | 0.107 | 0.974 | 0.97 | 1.12 | 3 | 4 | 4 | 0 | 100% | 0.75 |
| 3CYX_ROC_A_201 | 84% | 37% | 0.113 | 0.974 | 1.11 | 1.36 | 2 | 12 | 1 | 0 | 100% | 0.81 |
| 3UFN_ROC_A_401 | 97% | 22% | 0.067 | 0.979 | 1.32 | 1.88 | 1 | 11 | 0 | 0 | 100% | 1 |
