Binding information for 1mnc_ligand_4_59.mol2(FDBF00031)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1mnc_ligand_4_59.mol2 | 1mnc | 1 | -6.22 | CC(C)C(=O)NC | 7 |
Structure and binding mode of 1mnc_ligand_4_59.mol2(FDBF00031)
Important binding residues for 1mnc_ligand_4_59.mol2(FDBF00031)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1mnc | ILE180 | -1.41 | -1.98 | -3.39 | 0.42 | -2.97 |
| 1mnc | LEU181 | -0.91 | -3.09 | -4 | 1.28 | -2.73 |
| 1mnc | PRO238 | -0.36 | -3.04 | -3.4 | 2.57 | -0.83 |
| 1mnc | TYR240 | -0.44 | -0.05 | -0.49 | 0.08 | -0.41 |
