Binding information for 4dhm_ligand_3_16.mol2(FDBF06298)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4dhm_ligand_3_16.mol2 | 4dhm | 1 | -5.42 | c1(ccccc1)NC(=O)CO | 11 |
Structure and binding mode of 4dhm_ligand_3_16.mol2(FDBF06298)
Important binding residues for 4dhm_ligand_3_16.mol2(FDBF06298)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4dhm | ARG56 | -1.57 | 0.65 | -0.92 | 0.55 | -0.36 |
| 4dhm | ALA57 | -0.46 | 0.18 | -0.28 | -0.22 | -0.50 |
