Binding information for 186l_ligand_frag_0.mol2(FDBF00005)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 186l_ligand_frag_0.mol2 | 186l | 1 | -6.84 | c1ccccc1 | 6 |
Structure and binding mode of 186l_ligand_frag_0.mol2(FDBF00005)
Important binding residues for 186l_ligand_frag_0.mol2(FDBF00005)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 186l | ILE78 | -0.71 | 0.03 | -0.68 | -0.01 | -0.69 |
| 186l | LEU84 | -1.17 | -0.30 | -1.47 | 0.15 | -1.31 |
| 186l | VAL87 | -0.63 | 0.11 | -0.52 | -0.18 | -0.70 |
| 186l | TYR88 | -0.52 | -0.11 | -0.63 | 0.26 | -0.37 |
| 186l | ALA99 | -0.90 | -0.55 | -1.45 | 0.25 | -1.20 |
| 186l | VAL103 | -0.31 | -0.02 | -0.33 | -0.02 | -0.34 |
| 186l | VAL111 | -0.43 | 0.13 | -0.3 | -0.21 | -0.50 |
| 186l | LEU118 | -0.75 | -0.07 | -0.82 | 0.08 | -0.73 |
| 186l | LEU121 | -0.34 | 0.01 | -0.33 | -0.02 | -0.35 |
