Binding information for 2hob_ligand_2_133.mol2(FDBF05564)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2hob_ligand_2_133.mol2 | 2hob | 1 | -6.10 | C(OC(=O)C)c1ccccc1 | 11 |
Structure and binding mode of 2hob_ligand_2_133.mol2(FDBF05564)
Important binding residues for 2hob_ligand_2_133.mol2(FDBF05564)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2hob | THR25 | -1.15 | -0.20 | -1.35 | 0.43 | -0.92 |
| 2hob | LEU27 | -0.99 | -0.66 | -1.65 | 0.55 | -1.10 |
| 2hob | GLY143 | -1.04 | -0.63 | -1.67 | 0.56 | -1.11 |
| 2hob | SER144 | -0.51 | -0.11 | -0.62 | 0.18 | -0.44 |
