Binding information for 4z90_ligand.mol2(FDBF07572)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4z90_ligand.mol2 | 4z90 | 0.5 | -5.73 | C([C@H](OC(F)F)Cl)(F)(F)F | 11 |
Structure and binding mode of 4z90_ligand.mol2(FDBF07572)
Important binding residues for 4z90_ligand.mol2(FDBF07572)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4z90 | LEU240 | -0.79 | -0.17 | -0.96 | 0.25 | -0.71 |
| 4z90 | ALA244 | -0.43 | -0.18 | -0.61 | 0.14 | -0.47 |
| 4z90 | LEU240 | -0.69 | -0.83 | -1.52 | 1.18 | -0.35 |
| 4z90 | ALA244 | -0.37 | -0.16 | -0.53 | 0.15 | -0.38 |
| 4z90 | LEU240 | -0.65 | -0.28 | -0.93 | 0.25 | -0.68 |
| 4z90 | ALA244 | -0.42 | -0.08 | -0.5 | 0.10 | -0.41 |
| 4z90 | ALA244 | -0.41 | -0.34 | -0.75 | 0.22 | -0.53 |
