Binding information for 4nwm_ligand_1_5.mol2(FDBF00497)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4nwm_ligand_1_5.mol2 | 4nwm | 0.8 | -6.30 | c1ccc(c(c1)NC=O)C | 10 |
Structure and binding mode of 4nwm_ligand_1_5.mol2(FDBF00497)
Important binding residues for 4nwm_ligand_1_5.mol2(FDBF00497)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4nwm | LEU408 | -0.76 | -0.20 | -0.96 | 0.56 | -0.39 |
| 4nwm | GLY411 | -0.77 | 0.42 | -0.35 | -0.13 | -0.49 |
| 4nwm | VAL416 | -1.79 | -0.37 | -2.16 | 0.15 | -2.01 |
| 4nwm | LEU528 | -0.47 | 0.03 | -0.44 | -0.10 | -0.55 |
