Binding information for 1n8v_ligand_1_10.mol2(FDBF06815)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1n8v_ligand_1_10.mol2 | 1n8v | 0.571429 | -5.75 | C(Br)C | 3 |
Structure and binding mode of 1n8v_ligand_1_10.mol2(FDBF06815)
Important binding residues for 1n8v_ligand_1_10.mol2(FDBF06815)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1n8v | LEU23 | -0.47 | 0.09 | -0.38 | -0.10 | -0.47 |
| 1n8v | TYR26 | -0.89 | 0.32 | -0.57 | -0.28 | -0.85 |
| 1n8v | VAL27 | -1.08 | 0.20 | -0.88 | -0.20 | -1.08 |
| 1n8v | VAL30 | -0.51 | -0.32 | -0.83 | 0.12 | -0.70 |
| 1n8v | LEU43 | -0.39 | -0.07 | -0.46 | -0.01 | -0.48 |
| 1n8v | LEU84 | -0.71 | 0.19 | -0.52 | -0.13 | -0.66 |
