Binding information for 4lh5_ligand_1_3.mol2(FDBF00042)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4lh5_ligand_1_3.mol2 | 4lh5 | 1 | -6.12 | C(C)(C)(C)O | 5 |
Structure and binding mode of 4lh5_ligand_1_3.mol2(FDBF00042)
Important binding residues for 4lh5_ligand_1_3.mol2(FDBF00042)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4lh5 | HIS171 | -0.54 | -0.74 | -1.28 | 0.61 | -0.67 |
