Binding information for 4h38_ligand_4_285.mol2(FDBF00314)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4h38_ligand_4_285.mol2 | 4h38 | 0.846154 | -6.62 | O(c1cc(ccc1)CO)C | 10 |
Structure and binding mode of 4h38_ligand_4_285.mol2(FDBF00314)
Important binding residues for 4h38_ligand_4_285.mol2(FDBF00314)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4h38 | VAL50 | -1.57 | -0.31 | -1.88 | -0.43 | -2.32 |
| 4h38 | ARG51 | -1.50 | -2.21 | -3.71 | 2.23 | -1.47 |
| 4h38 | VAL54 | -0.78 | -0.09 | -0.87 | 0.01 | -0.86 |
| 4h38 | LEU93 | -0.47 | 0.18 | -0.29 | -0.17 | -0.46 |
| 4h38 | LEU100 | -0.52 | 0.10 | -0.42 | -0.16 | -0.58 |
