Binding information for 2hvc_ligand_1_3.mol2(FDBF00974)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2hvc_ligand_1_3.mol2 | 2hvc | 1 | -5.64 | CC(F)(F)F | 5 |
Structure and binding mode of 2hvc_ligand_1_3.mol2(FDBF00974)
Important binding residues for 2hvc_ligand_1_3.mol2(FDBF00974)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2hvc | LEU704 | -0.50 | 0.39 | -0.11 | -0.25 | -0.36 |
| 2hvc | MET742 | -0.26 | -0.31 | -0.57 | 0.25 | -0.32 |
| 2hvc | MET895 | -0.57 | -1.62 | -2.19 | 1.74 | -0.44 |
