Binding information for 4h7q_ligand_1_1.mol2(FDBF00012)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4h7q_ligand_1_1.mol2 | 4h7q | 1 | -6.39 | CC(C)C | 4 |
Structure and binding mode of 4h7q_ligand_1_1.mol2(FDBF00012)
Important binding residues for 4h7q_ligand_1_1.mol2(FDBF00012)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4h7q | ALA102 | -0.28 | 0.01 | -0.27 | -0.04 | -0.32 |
| 4h7q | LEU128 | -1.18 | 0.01 | -1.17 | 0.13 | -1.04 |
| 4h7q | LEU129 | -0.85 | -0.01 | -0.86 | 0.04 | -0.82 |
| 4h7q | ILE170 | -0.61 | -0.02 | -0.63 | 0.05 | -0.57 |
