Table 12.
Overlap similarity values of the ligands analyzed.
| Complex | Ligand | Overlap | ||||
|---|---|---|---|---|---|---|
| PDB Code | PDB Code | 100ste | 100elt | 60ste/40elt | 40ste/60elt | 50ste/elt |
| 2WMU | ZYU | 0.8967 | 0.4818 | 0.6860 | 0.6098 | 0.6476 |
| 2CGX | 3D3 | 0.8349 | 0.5361 | 0.6068 | 0.6226 | 0.5645 |
| 2WMV | ZYV | 0.8138 | 0.3378 | 0.5865 | 0.4969 | 0.5384 |
| 2BRM | DFZ | 0.7152 | 0.5368 | 0.5709 | 0.5852 | 0.5503 |
| 2BRN | DF1 | 0.6874 | 0.4597 | 0.6244 | 0.5991 | 0.6131 |
| 2BRO | DF2 | 0.6658 | 0.3912 | 0.5616 | 0.4997 | 0.5408 |
100ste = 100% of steric contribution; 100elt = 100% of electrostatic contribution; 60ste/40elt = 60% steric and 40% electrostatic; 40ste/60elt = 40% steric and 60% electrostatic; and 50ste/50elt = 50% of both contribution.