A1IRR: (2~{S},5~{R})-5-(4-methylphenyl)-1-[2-[[(2~{S})-3-phenyl-2-sulfanyl-propanoyl]amino]ethanoyl]pyrrolidine-2-carboxylic acid
A1IRR is a Ligand Of Interest in 9H1B designated by the Author
| 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 |
|---|
| 9H1B_A1IRR_A_711 | 89% | 9% | 0.079 | 0.959 | 2.77 | 1.66 | 6 | 10 | 0 | 0 | 100% | 1 |
| 9H1B_A1IRR_B_715 | 87% | 8% | 0.082 | 0.954 | 2.86 | 1.85 | 7 | 12 | 2 | 0 | 100% | 1 |
| 9H1D_A1IRR_A_701 | 80% | 11% | 0.091 | 0.939 | 2.64 | 1.56 | 9 | 8 | 0 | 0 | 100% | 1 |
