I3C: 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid
I3C is a Ligand Of Interest in 9DOY 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 |
9DOY_I3C_D_101 | 93% | 6% | 0.089 | 0.982 | 1.37 | 3.59 | 3 | 8 | 0 | 0 | 100% | 1 |
9DOY_I3C_C_101 | 87% | 6% | 0.101 | 0.973 | 1.77 | 3.24 | 3 | 10 | 0 | 0 | 100% | 1 |
9DOY_I3C_a_101 | 87% | 5% | 0.11 | 0.981 | 1.66 | 3.54 | 4 | 8 | 0 | 0 | 100% | 0.6 |
9DOY_I3C_E_101 | 83% | 3% | 0.122 | 0.981 | 1.53 | 4.48 | 4 | 13 | 0 | 0 | 100% | 0.5 |
9DOY_I3C_c_101 | 82% | 3% | 0.125 | 0.98 | 2.03 | 4.2 | 6 | 13 | 0 | 0 | 100% | 0.5 |
9DOY_I3C_f_101 | 64% | 5% | 0.15 | 0.95 | 1.59 | 3.57 | 1 | 11 | 0 | 0 | 100% | 1 |
9DOY_I3C_a_102 | 39% | 0% | 0.205 | 0.912 | 3.38 | 6.59 | 7 | 17 | 0 | 0 | 100% | 0.5 |
9DOX_I3C_B_101 | 96% | 8% | 0.076 | 0.988 | 1.52 | 3.03 | 4 | 14 | 0 | 0 | 100% | 1 |
3GT4_I3C_A_301 | 100% | 30% | 0.043 | 0.997 | 0.94 | 1.84 | - | 8 | 0 | 0 | 100% | 0.94 |
3E3D_I3C_A_131 | 100% | 31% | 0.049 | 0.997 | 0.84 | 1.89 | - | 9 | 0 | 0 | 100% | 0.6 |
3Q7S_I3C_B_114 | 100% | 12% | 0.052 | 0.994 | 2.94 | 1.18 | 9 | 2 | 0 | 0 | 100% | 1 |
2Y1B_I3C_A_1133 | 99% | 23% | 0.057 | 0.994 | 1.34 | 1.84 | 3 | 7 | 0 | 0 | 100% | 1 |
3E79_I3C_A_500 | 98% | 43% | 0.072 | 0.997 | 1.01 | 1.2 | - | 4 | 1 | 0 | 100% | 1 |