Binding information for 4c5w_ligand_1_0.mol2(FDBF00064)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4c5w_ligand_1_0.mol2 | 4c5w | 1 | -5.64 | C[N+](C)(C)C | 5 |
Structure and binding mode of 4c5w_ligand_1_0.mol2(FDBF00064)
Important binding residues for 4c5w_ligand_1_0.mol2(FDBF00064)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4c5w | TYR177 | -1.51 | -1.95 | -3.46 | 2.18 | -1.28 |
| 4c5w | TRP181 | -1.63 | -2.48 | -4.11 | 2.47 | -1.63 |
| 4c5w | ALA193 | -0.47 | 2.02 | 1.55 | -2.24 | -0.69 |
| 4c5w | TYR194 | -1.01 | -19.61 | -20.62 | 20.09 | -0.53 |
