Binding information for 1d4h_ligand_3_348.mol2(FDBF01388)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1d4h_ligand_3_348.mol2 | 1d4h | 1 | -6.33 | COCc1ccccc1 | 9 |
Structure and binding mode of 1d4h_ligand_3_348.mol2(FDBF01388)
Important binding residues for 1d4h_ligand_3_348.mol2(FDBF01388)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1d4h | GLY27 | -0.95 | -0.12 | -1.07 | 0.74 | -0.33 |
| 1d4h | ALA28 | -0.33 | -0.12 | -0.45 | 0.12 | -0.34 |
| 1d4h | GLY49 | -0.56 | -0.36 | -0.92 | 0.51 | -0.40 |
| 1d4h | ILE50 | -0.64 | -0.21 | -0.85 | 0.11 | -0.73 |
| 1d4h | PRO181 | -0.71 | -0.16 | -0.87 | 0.09 | -0.78 |
| 1d4h | VAL182 | -1.33 | 0.11 | -1.22 | -0.02 | -1.24 |
| 1d4h | ILE184 | -0.28 | 0.03 | -0.25 | -0.09 | -0.34 |
