JE6: ~{N}-[4-[(3~{S})-3-cyano-3-cyclopropyl-2-oxidanylidene-pyrrolidin-1-yl]-6-methyl-pyridin-2-yl]-2-phenyl-ethanamide
JE6 is a Ligand Of Interest in 7X09 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 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 |
7X09_JE6_A_1902 | 83% | 76% | 0.102 | 0.962 | 0.22 | 0.71 | - | 2 | 0 | 0 | 100% | 0.98 |
7X09_JE6_B_1902 | 83% | 79% | 0.093 | 0.951 | 0.16 | 0.69 | - | 1 | 0 | 0 | 100% | 0.99 |
7F9B_JE6_B_1901 | 82% | 82% | 0.104 | 0.959 | 0.19 | 0.59 | - | - | 0 | 0 | 100% | 0.99 |
7F98_JE6_A_1901 | 79% | 45% | 0.108 | 0.953 | 0.99 | 1.13 | - | 4 | 1 | 0 | 100% | 1 |
7X1O_JE6_A_1902 | 58% | 80% | 0.18 | 0.96 | 0.21 | 0.61 | - | - | 0 | 0 | 100% | 0.87 |
8JE7_JE6_B_1802 | 96% | 78% | 0.058 | 0.967 | 0.19 | 0.7 | - | 1 | 1 | 0 | 100% | 0.89 |
7EVV_JE6_A_901 | 92% | 69% | 0.071 | 0.961 | 0.55 | 0.63 | - | 1 | 0 | 0 | 100% | 1 |
7F9P_JE6_A_901 | 92% | 83% | 0.062 | 0.95 | 0.13 | 0.64 | - | 1 | 0 | 0 | 100% | 0.94 |
7F9R_JE6_A_901 | 86% | 81% | 0.092 | 0.96 | 0.18 | 0.62 | - | 1 | 0 | 0 | 100% | 0.96 |