Binding information for 4kwo_ligand_1_4.mol2(FDBF00994)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4kwo_ligand_1_4.mol2 | 4kwo | 0.821429 | -5.47 | O(C)[C@@H]1OCC[C@H]1O | 8 |
Structure and binding mode of 4kwo_ligand_1_4.mol2(FDBF00994)
Important binding residues for 4kwo_ligand_1_4.mol2(FDBF00994)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4kwo | LEU68 | -0.78 | 0.05 | -0.73 | -0.20 | -0.92 |
| 4kwo | ASN70 | -0.36 | -0.21 | -0.57 | 0.21 | -0.36 |
| 4kwo | MET260 | -0.24 | 0.26 | 0.02 | -0.32 | -0.31 |
| 4kwo | VAL282 | -0.26 | -0.15 | -0.41 | 0.10 | -0.31 |
