2XD: (2E)-1-(2-hydroxyphenyl)-3-(2,4,5,7-tetrahydro-6H-pyrazolo[3,4-c]pyridin-6-yl)prop-2-en-1-one
2XD is a Ligand Of Interest in 4Q0N designated by the RCSB
| Best-fitted instance in this entry |
| Other instances in this entry |
| 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 |
|---|
| 4Q0N_2XD_H_802 | 98% | 22% | 0.06 | 0.983 | 2.11 | 1.15 | 9 | 1 | 0 | 0 | 100% | 1 |
| 4Q0N_2XD_F_802 | 98% | 24% | 0.059 | 0.98 | 1.94 | 1.19 | 7 | 1 | 0 | 0 | 100% | 1 |
| 4Q0N_2XD_B_801 | 97% | 33% | 0.062 | 0.98 | 1.77 | 0.9 | 7 | 1 | 0 | 0 | 100% | 1 |
| 4Q0N_2XD_G_803 | 97% | 25% | 0.061 | 0.978 | 1.8 | 1.29 | 7 | 3 | 0 | 0 | 100% | 1 |
| 4Q0N_2XD_E_803 | 94% | 14% | 0.078 | 0.977 | 2.45 | 1.41 | 8 | 4 | 0 | 0 | 100% | 0.75 |
| 4Q0N_2XD_A_802 | 93% | 23% | 0.083 | 0.977 | 2.03 | 1.19 | 7 | 1 | 0 | 0 | 100% | 0.75 |
| 4Q0N_2XD_D_802 | 92% | 18% | 0.083 | 0.973 | 2.18 | 1.34 | 9 | 2 | 1 | 0 | 100% | 0.75 |
| 4Q0N_2XD_C_802 | 86% | 23% | 0.093 | 0.963 | 2.02 | 1.2 | 9 | 2 | 0 | 0 | 100% | 0.75 |
