Binding information for 5auv_ligand_frag_0.mol2(FDBF00006)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 5auv_ligand_frag_0.mol2 | 5auv | 1 | -6.79 | c1cc(ccc1)O | 7 |
Structure and binding mode of 5auv_ligand_frag_0.mol2(FDBF00006)
Important binding residues for 5auv_ligand_frag_0.mol2(FDBF00006)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 5auv | LEU19 | -0.71 | -0.09 | -0.8 | 0.11 | -0.68 |
| 5auv | VAL27 | -0.78 | -0.12 | -0.9 | -0.17 | -1.07 |
| 5auv | ALA40 | -0.79 | -0.25 | -1.04 | 0.17 | -0.86 |
| 5auv | ILE77 | -0.57 | 0.50 | -0.07 | -0.46 | -0.53 |
| 5auv | LEU93 | -0.57 | 0.33 | -0.24 | -0.34 | -0.57 |
| 5auv | GLU94 | 0.71 | -5.27 | -4.56 | 3.21 | -1.36 |
| 5auv | LEU95 | -0.65 | -1.13 | -1.78 | 0.23 | -1.55 |
| 5auv | VAL96 | -0.49 | -1.27 | -1.76 | 0.48 | -1.27 |
| 5auv | MET146 | -0.82 | -1.21 | -2.03 | 1.24 | -0.79 |
| 5auv | ILE160 | -1.00 | 0.00 | -1 | -0.17 | -1.17 |
