Binding information for 220l_ligand_frag_0.mol2(FDBF00005)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 220l_ligand_frag_0.mol2 | 220l | 1 | -6.92 | c1ccccc1 | 6 |
Structure and binding mode of 220l_ligand_frag_0.mol2(FDBF00005)
Important binding residues for 220l_ligand_frag_0.mol2(FDBF00005)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 220l | LEU99 | -0.46 | 0.11 | -0.35 | -0.09 | -0.44 |
| 220l | ALA102 | -0.57 | -0.21 | -0.78 | -0.00 | -0.78 |
| 220l | VAL111 | -0.70 | -0.42 | -1.12 | 0.31 | -0.81 |
| 220l | PHE114 | -0.87 | -0.20 | -1.07 | 0.57 | -0.50 |
| 220l | LEU133 | -1.12 | 0.18 | -0.94 | 0.17 | -0.76 |
| 220l | TRP138 | -0.81 | -0.07 | -0.88 | 0.42 | -0.46 |
