Binding information for 4occ_ligand_1_7.mol2(FDBF00318)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4occ_ligand_1_7.mol2 | 4occ | 1 | -5.74 | C(C)(C)(C)[S](O)O | 7 |
Structure and binding mode of 4occ_ligand_1_7.mol2(FDBF00318)
Important binding residues for 4occ_ligand_1_7.mol2(FDBF00318)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4occ | PHE55 | -1.31 | -1.97 | -3.28 | 2.04 | -1.25 |
| 4occ | GLN59 | -1.01 | 0.02 | -0.99 | 0.06 | -0.93 |
| 4occ | MET62 | -0.71 | 1.34 | 0.63 | -1.28 | -0.64 |
