Binding information for 3g42_ligand_1_3.mol2(FDBF01877)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3g42_ligand_1_3.mol2 | 3g42 | 1 | -5.51 | CC#C | 3 |
Structure and binding mode of 3g42_ligand_1_3.mol2(FDBF01877)
Important binding residues for 3g42_ligand_1_3.mol2(FDBF01877)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3g42 | LEU401 | -1.18 | -0.42 | -1.6 | 0.23 | -1.37 |
| 3g42 | VAL402 | -0.88 | -0.03 | -0.91 | 0.04 | -0.86 |
| 3g42 | HIS405 | -0.60 | -0.30 | -0.9 | 0.30 | -0.60 |
| 3g42 | ALA439 | -0.58 | -0.27 | -0.85 | 0.17 | -0.68 |
