Binding information for 4c5w_ligand_2_1.mol2(FDBF00289)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4c5w_ligand_2_1.mol2 | 4c5w | 1 | -6.03 | CC[N+](C)(C)C | 6 |
Structure and binding mode of 4c5w_ligand_2_1.mol2(FDBF00289)
Important binding residues for 4c5w_ligand_2_1.mol2(FDBF00289)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4c5w | TYR177 | -1.58 | -1.90 | -3.48 | 2.15 | -1.34 |
| 4c5w | TRP181 | -1.68 | -2.42 | -4.1 | 2.43 | -1.66 |
| 4c5w | ALA193 | -0.63 | 2.05 | 1.42 | -2.30 | -0.88 |
| 4c5w | TYR194 | -1.05 | -19.60 | -20.65 | 20.17 | -0.48 |
