Binding information for 4o1d_ligand_2_18.mol2(FDBF05640)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4o1d_ligand_2_18.mol2 | 4o1d | 0.64 | -6.36 | CCNC(=O)C=C | 7 |
Structure and binding mode of 4o1d_ligand_2_18.mol2(FDBF05640)
Important binding residues for 4o1d_ligand_2_18.mol2(FDBF05640)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4o1d | PHE193 | -1.31 | -0.27 | -1.58 | 0.54 | -1.05 |
| 4o1d | VAL242 | -0.63 | -0.34 | -0.97 | 0.54 | -0.43 |
| 4o1d | ALA244 | -0.85 | -0.59 | -1.44 | 0.51 | -0.94 |
| 4o1d | ARG311 | -0.92 | -3.18 | -4.1 | 2.99 | -1.12 |
| 4o1d | ILE351 | -0.96 | 0.02 | -0.94 | -0.09 | -1.02 |
| 4o1d | TYR18 | -0.95 | -0.17 | -1.12 | 0.20 | -0.91 |
