Binding information for 4rlw_ligand_1_1.mol2(FDBF00620)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4rlw_ligand_1_1.mol2 | 4rlw | 0.75 | -5.63 | C(O)C=C | 4 |
Structure and binding mode of 4rlw_ligand_1_1.mol2(FDBF00620)
Important binding residues for 4rlw_ligand_1_1.mol2(FDBF00620)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4rlw | CYS61 | -0.59 | -0.48 | -1.07 | 0.52 | -0.55 |
| 4rlw | TYR65 | -0.67 | -0.13 | -0.8 | 0.08 | -0.72 |
| 4rlw | GLN86 | -0.75 | -1.40 | -2.15 | 1.15 | -1.00 |
| 4rlw | THR140 | -0.57 | -0.21 | -0.78 | 0.16 | -0.63 |
