Binding information for 1mnc_ligand_5_72.mol2(FDBF00187)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1mnc_ligand_5_72.mol2 | 1mnc | 1 | -6.90 | C([C@H](C)C(=O)NC)C(C)C | 10 |
Structure and binding mode of 1mnc_ligand_5_72.mol2(FDBF00187)
Important binding residues for 1mnc_ligand_5_72.mol2(FDBF00187)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1mnc | ILE180 | -1.45 | -1.99 | -3.44 | 0.39 | -3.05 |
| 1mnc | LEU181 | -1.39 | -3.11 | -4.5 | 1.29 | -3.21 |
| 1mnc | VAL215 | -0.69 | -0.14 | -0.83 | 0.22 | -0.61 |
| 1mnc | PRO238 | -0.55 | -2.94 | -3.49 | 3.00 | -0.49 |
| 1mnc | ASN239 | -1.19 | -0.28 | -1.47 | 0.97 | -0.51 |
| 1mnc | TYR240 | -1.41 | -0.04 | -1.45 | 0.18 | -1.27 |
