Binding information for 4q1f_ligand_1_0.mol2(FDBF01539)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4q1f_ligand_1_0.mol2 | 4q1f | 1 | -5.51 | CS(=O)(=O)NC | 6 |
Structure and binding mode of 4q1f_ligand_1_0.mol2(FDBF01539)
Important binding residues for 4q1f_ligand_1_0.mol2(FDBF01539)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4q1f | ASN140 | -0.79 | 0.21 | -0.58 | -0.50 | -1.08 |
| 4q1f | LEU141 | -0.37 | 0.34 | -0.03 | -0.29 | -0.33 |
| 4q1f | TYR204 | -2.04 | -0.62 | -2.66 | 0.46 | -2.21 |
