Binding information for 3e9h_ligand_1_3.mol2(FDBF00040)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3e9h_ligand_1_3.mol2 | 3e9h | 1 | -5.77 | CC[NH3+] | 3 |
Structure and binding mode of 3e9h_ligand_1_3.mol2(FDBF00040)
Important binding residues for 3e9h_ligand_1_3.mol2(FDBF00040)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3e9h | GLY207 | 0.38 | -9.51 | -9.13 | 5.58 | -3.55 |
| 3e9h | ALA208 | -0.22 | -0.18 | -0.4 | -0.19 | -0.59 |
| 3e9h | GLU231 | 0.47 | -45.25 | -44.78 | 41.24 | -3.54 |
| 3e9h | LEU232 | -0.03 | -17.51 | -17.54 | 17.17 | -0.37 |
| 3e9h | MET267 | -0.34 | -1.07 | -1.41 | 0.78 | -0.63 |
| 3e9h | GLU269 | -0.75 | -47.89 | -48.64 | 40.05 | -8.60 |
| 3e9h | TYR271 | -0.19 | -12.82 | -13.01 | 12.54 | -0.46 |
