45R: 7-{[2-methoxy-4-(1H-pyrazol-4-yl)benzoyl]amino}-2,3,4,5-tetrahydro-1H-3-benzazepinium
45R is a Ligand Of Interest in 4D2V 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) |
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 |
4D2V_45R_A_1334 | 30% | 73% | 0.247 | 0.911 | 0.37 | 0.67 | - | - | 2 | 0 | 100% | 0.79 |
4D2V_45R_D_1334 | 23% | 62% | 0.263 | 0.886 | 0.52 | 0.93 | 1 | 2 | 3 | 0 | 100% | 0.94 |
4D2V_45R_C_1334 | 22% | 75% | 0.308 | 0.925 | 0.37 | 0.59 | - | - | 2 | 0 | 100% | 0.71 |
4D2V_45R_B_1334 | 12% | 73% | 0.318 | 0.844 | 0.33 | 0.7 | - | - | 3 | 0 | 100% | 0.89 |
5TWZ_45R_A_1000 | 31% | 32% | 0.247 | 0.916 | 1.46 | 1.26 | 3 | 3 | 0 | 0 | 100% | 1 |