Binding information for 1ct8_ligand_frag_1.mol2(FDBF00466)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1ct8_ligand_frag_1.mol2 | 1ct8 | 0.333333 | -5.48 | ClCCl | 3 |
Structure and binding mode of 1ct8_ligand_frag_1.mol2(FDBF00466)
Important binding residues for 1ct8_ligand_frag_1.mol2(FDBF00466)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1ct8 | THR91 | -0.46 | -0.62 | -1.08 | 0.64 | -0.44 |
| 1ct8 | HIS92 | -0.89 | -0.55 | -1.44 | 1.04 | -0.40 |
| 1ct8 | GLY93 | -0.76 | -0.21 | -0.97 | 0.34 | -0.64 |
| 1ct8 | ARG94 | -1.20 | -0.11 | -1.31 | 0.70 | -0.61 |
