Binding information for 4j03_ligand_4_0.mol2(FDBF03175)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4j03_ligand_4_0.mol2 | 4j03 | 0.733333 | -6.30 | CCCC(F)(F)C(F)(F)F | 10 |
Structure and binding mode of 4j03_ligand_4_0.mol2(FDBF03175)
Important binding residues for 4j03_ligand_4_0.mol2(FDBF03175)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4j03 | PHE267 | -0.98 | -0.18 | -1.16 | 0.65 | -0.51 |
| 4j03 | TYR383 | -1.10 | -0.56 | -1.66 | 1.08 | -0.59 |
| 4j03 | LEU408 | -0.58 | -0.12 | -0.7 | 0.13 | -0.58 |
| 4j03 | VAL498 | -0.73 | 1.44 | 0.71 | -1.01 | -0.31 |
| 4j03 | HIS524 | -0.99 | 0.46 | -0.53 | -0.06 | -0.59 |
| 4j03 | TRP525 | -0.63 | -0.67 | -1.3 | 0.84 | -0.46 |
