Binding information for 1mh5_ligand_1_0.mol2(FDBF00023)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1mh5_ligand_1_0.mol2 | 1mh5 | 1 | -7.22 | Cc1ccccc1 | 7 |
Structure and binding mode of 1mh5_ligand_1_0.mol2(FDBF00023)
Important binding residues for 1mh5_ligand_1_0.mol2(FDBF00023)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1mh5 | TYR34 | -0.76 | 0.14 | -0.62 | 0.31 | -0.31 |
| 1mh5 | LEU89 | -0.86 | -0.48 | -1.34 | 0.38 | -0.96 |
| 1mh5 | PHE96 | -0.89 | -0.03 | -0.92 | 0.24 | -0.68 |
| 1mh5 | ASN35 | -0.99 | 0.09 | -0.9 | 0.32 | -0.57 |
| 1mh5 | TRP47 | -0.60 | -0.04 | -0.64 | 0.33 | -0.31 |
| 1mh5 | VAL93 | -0.68 | 0.07 | -0.61 | -0.25 | -0.86 |
| 1mh5 | LYS95 | -0.59 | 0.31 | -0.28 | -0.25 | -0.53 |
