Binding information for 1al7_ligand_6_176.mol2(FDBF00137)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1al7_ligand_6_176.mol2 | 1al7 | 0.384615 | -6.30 | S[C@H](CC)CCC | 7 |
Structure and binding mode of 1al7_ligand_6_176.mol2(FDBF00137)
Important binding residues for 1al7_ligand_6_176.mol2(FDBF00137)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1al7 | ALA79 | -0.36 | 0.22 | -0.14 | -0.27 | -0.41 |
| 1al7 | TRP108 | -2.16 | -0.28 | -2.44 | 0.83 | -1.60 |
| 1al7 | TYR129 | -0.59 | 0.04 | -0.55 | 0.24 | -0.31 |
| 1al7 | LEU161 | -0.30 | 0.03 | -0.27 | -0.08 | -0.35 |
| 1al7 | ILE207 | -0.45 | 0.03 | -0.42 | -0.08 | -0.50 |
