Binding information for 1hp0_ligand_frag_1.mol2(FDBF00059)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1hp0_ligand_frag_1.mol2 | 1hp0 | 1 | -6.49 | C1[C@H]([C@H](CO1)O)O | 7 |
Structure and binding mode of 1hp0_ligand_frag_1.mol2(FDBF00059)
Important binding residues for 1hp0_ligand_frag_1.mol2(FDBF00059)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1hp0 | ASP10 | -0.33 | 2.40 | 2.07 | -3.35 | -1.28 |
| 1hp0 | ASN12 | -0.54 | 0.56 | 0.02 | -0.69 | -0.66 |
| 1hp0 | ASP15 | -0.49 | 3.14 | 2.65 | -3.59 | -0.94 |
| 1hp0 | PHE79 | -0.57 | -0.82 | -1.39 | 0.88 | -0.51 |
| 1hp0 | MET164 | -0.87 | -0.64 | -1.51 | 0.79 | -0.72 |
| 1hp0 | TRP185 | -0.47 | -0.06 | -0.53 | -0.12 | -0.65 |
| 1hp0 | ASN186 | -0.54 | -1.38 | -1.92 | 0.94 | -0.99 |
| 1hp0 | TRP260 | -1.47 | -0.16 | -1.63 | -0.31 | -1.94 |
