Binding information for 1mh5_ligand_frag_0.mol2(FDBF00005)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1mh5_ligand_frag_0.mol2 | 1mh5 | 1 | -6.87 | c1ccccc1 | 6 |
Structure and binding mode of 1mh5_ligand_frag_0.mol2(FDBF00005)
Important binding residues for 1mh5_ligand_frag_0.mol2(FDBF00005)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1mh5 | LEU89 | -0.75 | -0.42 | -1.17 | 0.31 | -0.86 |
| 1mh5 | PHE96 | -0.50 | -0.01 | -0.51 | 0.16 | -0.35 |
| 1mh5 | ASN35 | -0.78 | 0.08 | -0.7 | 0.17 | -0.53 |
| 1mh5 | VAL93 | -0.66 | 0.07 | -0.59 | -0.25 | -0.84 |
| 1mh5 | LYS95 | -0.36 | 0.21 | -0.15 | -0.21 | -0.36 |
