Binding information for 4o2p_ligand_1_7.mol2(FDBF00971)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4o2p_ligand_1_7.mol2 | 4o2p | 0.4 | -5.63 | C(Cl)C | 3 |
Structure and binding mode of 4o2p_ligand_1_7.mol2(FDBF00971)
Important binding residues for 4o2p_ligand_1_7.mol2(FDBF00971)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4o2p | LEU273 | -0.42 | -0.23 | -0.65 | 0.18 | -0.46 |
| 4o2p | VAL281 | -0.30 | -0.15 | -0.45 | 0.01 | -0.44 |
| 4o2p | ALA293 | -0.29 | -0.26 | -0.55 | 0.15 | -0.39 |
| 4o2p | TYR340 | -0.70 | -0.20 | -0.9 | 0.58 | -0.32 |
| 4o2p | GLY344 | -0.43 | 0.20 | -0.23 | -0.11 | -0.34 |
| 4o2p | LEU393 | -0.48 | 0.17 | -0.31 | -0.18 | -0.50 |
