Binding information for 4u82_ligand_1_10.mol2(FDBF00012)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4u82_ligand_1_10.mol2 | 4u82 | 1 | -6.40 | CC(C)C | 4 |
Structure and binding mode of 4u82_ligand_1_10.mol2(FDBF00012)
Important binding residues for 4u82_ligand_1_10.mol2(FDBF00012)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4u82 | MET54 | -0.70 | 0.01 | -0.69 | 0.05 | -0.63 |
| 4u82 | ILE57 | -0.67 | 0.00 | -0.67 | -0.08 | -0.75 |
| 4u82 | LEU95 | -0.70 | 0.01 | -0.69 | 0.05 | -0.65 |
| 4u82 | PHE99 | -0.92 | 0.01 | -0.91 | 0.18 | -0.73 |
| 4u82 | PHE148 | -1.19 | 0.02 | -1.17 | 0.31 | -0.86 |
