Binding information for 1mnc_ligand_4_56.mol2(FDBF00185)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1mnc_ligand_4_56.mol2 | 1mnc | 1 | -6.78 | C([C@H](C)C(=O)N)C(C)C | 9 |
Structure and binding mode of 1mnc_ligand_4_56.mol2(FDBF00185)
Important binding residues for 1mnc_ligand_4_56.mol2(FDBF00185)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1mnc | ILE180 | -1.21 | -1.91 | -3.12 | 0.43 | -2.70 |
| 1mnc | LEU181 | -1.22 | -3.04 | -4.26 | 1.29 | -2.97 |
| 1mnc | VAL215 | -0.69 | -0.14 | -0.83 | 0.23 | -0.60 |
| 1mnc | PRO238 | -0.49 | -2.84 | -3.33 | 2.90 | -0.44 |
| 1mnc | ASN239 | -1.01 | -0.22 | -1.23 | 0.84 | -0.39 |
| 1mnc | TYR240 | -1.31 | -0.01 | -1.32 | 0.12 | -1.20 |
