ISS: (2E)-3-[(4-hydroxy-2-oxobutyl)amino]prop-2-enal
ISS is a Ligand Of Interest in 3CG5 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 |
|---|
| 3CG5_ISS_A_684 | 44% | 0% | 0.142 | 0.871 | 3.76 | 5.71 | 3 | 3 | 1 | 0 | 100% | 1 |
| 6H2C_ISS_A_401 | 53% | 20% | 0.133 | 0.895 | 1.3 | 2.21 | 1 | 1 | 1 | 0 | 100% | 1 |
| 7L5T_ISS_A_301 | 57% | 47% | 0.157 | 0.933 | 1.16 | 0.92 | 1 | 1 | 1 | 0 | 100% | 1 |
| 6J2O_ISS_A_301 | 53% | 28% | 0.149 | 0.912 | 1.57 | 1.49 | 2 | 1 | 0 | 0 | 100% | 1 |
| 6J2K_ISS_A_301 | 27% | 12% | 0.191 | 0.84 | 1.65 | 2.59 | 3 | 2 | 2 | 0 | 100% | 1 |
