Binding information for 3gw5_ligand_2_1.mol2(FDBF03178)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3gw5_ligand_2_1.mol2 | 3gw5 | 0.795455 | -7.07 | CC[C@@H](O)c1cccc(c1)Cl | 11 |
Structure and binding mode of 3gw5_ligand_2_1.mol2(FDBF03178)
Important binding residues for 3gw5_ligand_2_1.mol2(FDBF03178)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3gw5 | GLN19 | -1.43 | 0.37 | -1.06 | 0.11 | -0.95 |
| 3gw5 | VAL36 | -0.37 | 0.08 | -0.29 | -0.17 | -0.47 |
| 3gw5 | PRO118 | -0.79 | -0.83 | -1.62 | 0.65 | -0.98 |
| 3gw5 | PHE119 | -0.95 | 0.13 | -0.82 | 0.20 | -0.62 |
| 3gw5 | LEU121 | -1.03 | 0.10 | -0.93 | 0.22 | -0.72 |
| 3gw5 | ALA122 | -0.96 | -0.46 | -1.42 | 0.15 | -1.26 |
| 3gw5 | PHE124 | -0.62 | -0.15 | -0.77 | 0.41 | -0.36 |
| 3gw5 | SER230 | 1.37 | -4.12 | -2.75 | 1.96 | -0.79 |
