CNI: 7-nitro-2,3-dioxo-2,3-dihydroquinoxaline-6-carbonitrile
CNI is a Ligand Of Interest in 3B7D 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 |
3B7D_CNI_G_262 | 68% | 24% | 0.126 | 0.937 | 2.2 | 0.93 | 1 | - | 0 | 0 | 100% | 1 |
3B7D_CNI_C_262 | 58% | 22% | 0.132 | 0.909 | 2.22 | 1.08 | 1 | 2 | 0 | 0 | 100% | 1 |
3B7D_CNI_D_262 | 52% | 23% | 0.164 | 0.921 | 2.25 | 0.99 | 1 | - | 0 | 0 | 100% | 1 |
3B7D_CNI_A_262 | 42% | 22% | 0.165 | 0.883 | 2.26 | 0.99 | 1 | - | 0 | 0 | 100% | 1 |
3B7D_CNI_H_262 | 39% | 22% | 0.191 | 0.896 | 2.24 | 1.03 | 1 | - | 0 | 0 | 100% | 1 |
3B7D_CNI_E_262 | 29% | 24% | 0.178 | 0.837 | 2.2 | 0.93 | 1 | - | 0 | 0 | 100% | 1 |
3B7D_CNI_F_262 | 28% | 25% | 0.205 | 0.86 | 2.24 | 0.88 | 1 | - | 0 | 0 | 100% | 1 |
3B7D_CNI_B_262 | 23% | 21% | 0.219 | 0.841 | 2.26 | 1.11 | 1 | 1 | 0 | 0 | 100% | 1 |
3T9U_CNI_A_400 | 70% | 8% | 0.129 | 0.945 | 3.24 | 1.44 | 5 | 3 | 0 | 0 | 100% | 1 |
3T9V_CNI_A_400 | 61% | 3% | 0.128 | 0.917 | 4.73 | 1.44 | 7 | 3 | 0 | 0 | 100% | 1 |
4F1Y_CNI_A_401 | 12% | 23% | 0.213 | 0.736 | 2.25 | 0.99 | 1 | - | 0 | 0 | 100% | 1 |