Binding information for 1fq4_ligand_1_13.mol2(FDBF04162)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1fq4_ligand_1_13.mol2 | 1fq4 | 1 | -5.41 | O1CC[NH+](CC1)C | 7 |
Structure and binding mode of 1fq4_ligand_1_13.mol2(FDBF04162)
Important binding residues for 1fq4_ligand_1_13.mol2(FDBF04162)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1fq4 | ILE73 | -0.62 | 1.67 | 1.05 | -1.69 | -0.64 |
| 1fq4 | ILE128 | -1.18 | -3.15 | -4.33 | 3.19 | -1.14 |
| 1fq4 | VAL130 | -0.44 | 0.66 | 0.22 | -0.66 | -0.44 |
