Binding information for 5bvf_ligand_2_9.mol2(FDBF07466)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 5bvf_ligand_2_9.mol2 | 5bvf | 0.810811 | -6.57 | C(O)Cc1cc(ccc1)Cl | 10 |
Structure and binding mode of 5bvf_ligand_2_9.mol2(FDBF07466)
Important binding residues for 5bvf_ligand_2_9.mol2(FDBF07466)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 5bvf | GLU31 | -0.73 | 0.38 | -0.35 | -0.12 | -0.46 |
| 5bvf | GLY32 | -1.07 | -0.29 | -1.36 | 0.52 | -0.83 |
| 5bvf | ALA33 | -0.59 | -0.06 | -0.65 | 0.13 | -0.52 |
| 5bvf | TYR34 | -1.43 | -0.03 | -1.46 | 0.80 | -0.67 |
| 5bvf | MET36 | -0.66 | -0.09 | -0.75 | 0.17 | -0.58 |
| 5bvf | VAL37 | -0.23 | -0.13 | -0.36 | -0.04 | -0.40 |
| 5bvf | LYS52 | -1.73 | -0.09 | -1.82 | 1.22 | -0.59 |
| 5bvf | LYS53 | -0.46 | -0.30 | -0.76 | 0.16 | -0.60 |
| 5bvf | ILE54 | -0.77 | -0.11 | -0.88 | 0.08 | -0.80 |
