Binding information for 2a8h_ligand_1_4.mol2(FDBF01877)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2a8h_ligand_1_4.mol2 | 2a8h | 1 | -5.51 | CC#C | 3 |
Structure and binding mode of 2a8h_ligand_1_4.mol2(FDBF01877)
Important binding residues for 2a8h_ligand_1_4.mol2(FDBF01877)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2a8h | LEU401 | -1.37 | -0.56 | -1.93 | 0.30 | -1.63 |
| 2a8h | VAL402 | -1.01 | -0.09 | -1.1 | 0.09 | -1.00 |
| 2a8h | HIS405 | -0.62 | -0.15 | -0.77 | 0.23 | -0.54 |
| 2a8h | ALA439 | -0.69 | -0.23 | -0.92 | 0.03 | -0.89 |
| 2a8h | VAL440 | -0.99 | 0.36 | -0.63 | 0.31 | -0.31 |
