Binding information for 4p6g_ligand_1_3.mol2(FDBF07628)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4p6g_ligand_1_3.mol2 | 4p6g | 0.468085 | -5.04 | C1C(CO1)[NH+]1CC[NH2+]CC1 | 10 |
Structure and binding mode of 4p6g_ligand_1_3.mol2(FDBF07628)
Important binding residues for 4p6g_ligand_1_3.mol2(FDBF07628)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4p6g | PHE70 | -0.83 | 3.16 | 2.33 | -2.79 | -0.46 |
| 4p6g | GLU115 | -0.04 | -64.38 | -64.42 | 63.89 | -0.53 |
| 4p6g | VAL138 | -0.01 | -30.72 | -30.73 | 30.36 | -0.37 |
| 4p6g | GLY207 | -0.01 | -30.23 | -30.24 | 29.90 | -0.33 |
| 4p6g | PHE211 | -2.07 | -4.33 | -6.4 | 3.48 | -2.93 |
