Binding information for 4g4p_ligand_1_2.mol2(FDBF00015)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4g4p_ligand_1_2.mol2 | 4g4p | 1 | -5.96 | C(=O)(N)C | 4 |
Structure and binding mode of 4g4p_ligand_1_2.mol2(FDBF00015)
Important binding residues for 4g4p_ligand_1_2.mol2(FDBF00015)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4g4p | ASP30 | -0.41 | -1.61 | -2.02 | 1.39 | -0.62 |
| 4g4p | PHE33 | -1.47 | -0.80 | -2.27 | 1.31 | -0.96 |
| 4g4p | PHE71 | -1.28 | -0.42 | -1.7 | 0.28 | -1.42 |
| 4g4p | ALA88 | -0.37 | -2.74 | -3.11 | 1.95 | -1.16 |
| 4g4p | LYS136 | -0.15 | -11.32 | -11.47 | 9.54 | -1.93 |
| 4g4p | THR139 | -0.55 | -0.54 | -1.09 | 0.61 | -0.48 |
