I3C: 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid
I3C is a Ligand Of Interest in 3E3S 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 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 |
3E3S_I3C_A_1001 | 97% | 22% | 0.074 | 0.99 | 0.9 | 2.31 | - | 6 | 2 | 0 | 100% | 0.49 |
3E3S_I3C_A_1002 | 92% | 45% | 0.094 | 0.986 | 0.85 | 1.28 | - | 2 | 0 | 0 | 100% | 0.44 |
3E3S_I3C_A_1003 | 77% | 43% | 0.14 | 0.981 | 0.79 | 1.39 | - | 4 | 0 | 0 | 100% | 0.26 |
3E3S_I3C_A_1004 | 58% | 39% | 0.179 | 0.958 | 0.84 | 1.53 | - | 5 | 0 | 0 | 100% | 19 |
3E3S_I3C_A_1005 | 55% | 13% | 0.18 | 0.95 | 1 | 2.94 | - | 9 | 3 | 0 | 100% | 0.26 |
3GT4_I3C_A_301 | 100% | 30% | 0.043 | 0.997 | 0.94 | 1.84 | - | 8 | 0 | 0 | 100% | 0.9375 |
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 |