Binding information for 1w6h_ligand_1_5.mol2(FDBF00001)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1w6h_ligand_1_5.mol2 | 1w6h | 0.285714 | -5.26 | N(=C\O)\C | 4 |
Structure and binding mode of 1w6h_ligand_1_5.mol2(FDBF00001)
Important binding residues for 1w6h_ligand_1_5.mol2(FDBF00001)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1w6h | TYR77 | -0.85 | 0.01 | -0.84 | -0.03 | -0.87 |
| 1w6h | VAL78 | -0.72 | -0.55 | -1.27 | 0.12 | -1.15 |
| 1w6h | SER79 | -0.59 | -0.42 | -1.01 | 0.69 | -0.32 |
