Binding information for 1pot_ligand_4_10.mol2(FDBF00073)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1pot_ligand_4_10.mol2 | 1pot | 1 | -6.61 | C(C[NH2+]CC)C | 6 |
Structure and binding mode of 1pot_ligand_4_10.mol2(FDBF00073)
Important binding residues for 1pot_ligand_4_10.mol2(FDBF00073)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1pot | TRP34 | -2.57 | -3.46 | -6.03 | 0.72 | -5.31 |
| 1pot | TYR37 | -1.25 | 0.10 | -1.15 | 0.77 | -0.37 |
| 1pot | SER83 | -0.38 | 1.11 | 0.73 | -1.46 | -0.74 |
| 1pot | TRP229 | -1.86 | 17.92 | 16.06 | -17.85 | -1.80 |
| 1pot | TRP255 | -2.11 | -2.06 | -4.17 | 1.59 | -2.58 |
| 1pot | ASP257 | 0.30 | -51.64 | -51.34 | 49.25 | -2.08 |
| 1pot | TYR293 | -0.70 | -15.50 | -16.2 | 15.58 | -0.62 |
